6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide

C17H20N6O — CID 133460307

IUPAC6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N(C)Cc2cnc(N(C)C)nc2)nc1
InChIInChI=1S/C17H20N6O/c1-5-8-18-16(24)14-6-7-15(19-11-14)23(4)12-13-9-20-17(21-10-13)22(2)3/h1,6-7,9-11H,8,12H2,2-4H3,(H,18,24)
InChIKeyFDPQYEDJUHKMMH-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.94
Rot. Bonds6

About 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide

6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133460307) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133460307
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N(C)Cc2cnc(N(C)C)nc2)nc1
InChIInChI=1S/C17H20N6O/c1-5-8-18-16(24)14-6-7-15(19-11-14)23(4)12-13-9-20-17(21-10-13)22(2)3/h1,6-7,9-11H,8,12H2,2-4H3,(H,18,24)
InChIKeyFDPQYEDJUHKMMH-UHFFFAOYSA-N
XLogP0.94
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133385812
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133431133
6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133449042
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314
6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158137
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide
CID 99778610
N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide
CID 132549675
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109153874
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133460307) is 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(N(C)Cc2cnc(N(C)C)nc2)nc1.
What is the InChIKey of 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is FDPQYEDJUHKMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-5-8-18-16(24)14-6-7-15(19-11-14)23(4)12-13-9-20-17(21-10-13)22(2)3/h1,6-7,9-11H,8,12H2,2-4H3,(H,18,24).
What are the key properties of 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133460307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).