N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C53H65N11O — CID 159933219

IUPACN,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C=O)nc1.Cc1ccc(CN(CCN(Cc2ccc(C)cn2)Cc2ccc(C)cn2)Cc2ccc(C)cn2)nc1.Cc1ccc(CNCCNCc2ccc(C)cn2)nc1
InChIInChI=1S/C30H36N6.C16H22N4.C7H7NO/c1-23-5-9-27(31-15-23)19-35(20-28-10-6-24(2)16-32-28)13-14-36(21-29-11-7-25(3)17-33-29)22-30-12-8-26(4)18-34-30;1-13-3-5-15(19-9-13)11-17-7-8-18-12-16-6-4-14(2)10-20-16;1-6-2-3-7(5-9)8-4-6/h5-12,15-18H,13-14,19-22H2,1-4H3;3-6,9-10,17-18H,7-8,11-12H2,1-2H3;2-5H,1H3
InChIKeyNZXIEGIVHXLQIK-UHFFFAOYSA-N
MW872.18 g/mol
LogP8.38
Rot. Bonds19

About N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 159933219) has the molecular formula C53H65N11O and a molecular weight of 872.18 g/mol. Its IUPAC name is N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID159933219
Molecular FormulaC53H65N11O
Molecular Weight872.18 g/mol
Exact Mass871.54
IUPAC NameN,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C=O)nc1.Cc1ccc(CN(CCN(Cc2ccc(C)cn2)Cc2ccc(C)cn2)Cc2ccc(C)cn2)nc1.Cc1ccc(CNCCNCc2ccc(C)cn2)nc1
InChIInChI=1S/C30H36N6.C16H22N4.C7H7NO/c1-23-5-9-27(31-15-23)19-35(20-28-10-6-24(2)16-32-28)13-14-36(21-29-11-7-25(3)17-33-29)22-30-12-8-26(4)18-34-30;1-13-3-5-15(19-9-13)11-17-7-8-18-12-16-6-4-14(2)10-20-16;1-6-2-3-7(5-9)8-4-6/h5-12,15-18H,13-14,19-22H2,1-4H3;3-6,9-10,17-18H,7-8,11-12H2,1-2H3;2-5H,1H3
InChIKeyNZXIEGIVHXLQIK-UHFFFAOYSA-N
XLogP8.38
TPSA137.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.18
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]pyridine-2-carboxamide
CID 71459153
5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyridine-2-carboxamide
CID 24916864
(E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate
CID 6481872
5-(3-methylpyridin-2-yl)-N-[[6-[2-(trifluoromethyl)pyridin-4-yl]pyridin-3-yl]methyl]pyridine-2-carboxamide
CID 56597377
5-(3-methylpyridin-2-yl)-N-[[5-methyl-6-[2-(trifluoromethyl)pyridin-4-yl]pyridin-3-yl]methyl]pyridine-2-carboxamide
CID 56597378
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 56597379
N-[5-[amino-[2-imino-2-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 91376760
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 118500232
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 118500235
3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbaldehyde;N-methyl-4-piperidin-1-ylpyridin-3-amine
CID 145468783
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[3-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 157832766
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 158104862

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 159933219) is N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is Cc1ccc(C=O)nc1.Cc1ccc(CN(CCN(Cc2ccc(C)cn2)Cc2ccc(C)cn2)Cc2ccc(C)cn2)nc1.Cc1ccc(CNCCNCc2ccc(C)cn2)nc1.
What is the InChIKey of N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is NZXIEGIVHXLQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6.C16H22N4.C7H7NO/c1-23-5-9-27(31-15-23)19-35(20-28-10-6-24(2)16-32-28)13-14-36(21-29-11-7-25(3)17-33-29)22-30-12-8-26(4)18-34-30;1-13-3-5-15(19-9-13)11-17-7-8-18-12-16-6-4-14(2)10-20-16;1-6-2-3-7(5-9)8-4-6/h5-12,15-18H,13-14,19-22H2,1-4H3;3-6,9-10,17-18H,7-8,11-12H2,1-2H3;2-5H,1H3.
What are the key properties of N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 872.18 g/mol, XLogP of 8.38, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine;5-methylpyridine-2-carbaldehyde;N,N,N',N'-tetrakis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 159933219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).