N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride

C18H24Cl2N4O2 — CID 120564934

IUPACN-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(NC(=O)c2ccncc2)c1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-13(19)5-6-17(23)21-12-14-3-2-4-16(11-14)22-18(24)15-7-9-20-10-8-15;;/h2-4,7-11,13H,5-6,12,19H2,1H3,(H,21,23)(H,22,24);2*1H
InChIKeyKMIKVAVEOMAYNV-UHFFFAOYSA-N
MW399.32 g/mol
LogP2.92
Rot. Bonds7

About N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride

N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120564934) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID120564934
Molecular FormulaC18H24Cl2N4O2
Molecular Weight399.32 g/mol
Exact Mass398.13
IUPAC NameN-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(NC(=O)c2ccncc2)c1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-13(19)5-6-17(23)21-12-14-3-2-4-16(11-14)22-18(24)15-7-9-20-10-8-15;;/h2-4,7-11,13H,5-6,12,19H2,1H3,(H,21,23)(H,22,24);2*1H
InChIKeyKMIKVAVEOMAYNV-UHFFFAOYSA-N
XLogP2.92
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
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N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
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N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903975
N-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120798865
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 56825715
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
1-[2-oxo-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549546

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride (CID 120564934) is N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride is CC(N)CCC(=O)NCc1cccc(NC(=O)c2ccncc2)c1.Cl.Cl.
What is the InChIKey of N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is KMIKVAVEOMAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.2ClH/c1-13(19)5-6-17(23)21-12-14-3-2-4-16(11-14)22-18(24)15-7-9-20-10-8-15;;/h2-4,7-11,13H,5-6,12,19H2,1H3,(H,21,23)(H,22,24);2*1H.
What are the key properties of N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 399.32 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120564934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).