6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide

C19H22N4O — CID 133385812

IUPAC6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nc1
InChIInChI=1S/C19H22N4O/c1-5-11-20-19(24)16-9-10-18(21-13-16)23(4)14-15-7-6-8-17(12-15)22(2)3/h1,6-10,12-13H,11,14H2,2-4H3,(H,20,24)
InChIKeyJMKUIZGNEOGDHN-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.15
Rot. Bonds6

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

6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133385812) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133385812
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nc1
InChIInChI=1S/C19H22N4O/c1-5-11-20-19(24)16-9-10-18(21-13-16)23(4)14-15-7-6-8-17(12-15)22(2)3/h1,6-10,12-13H,11,14H2,2-4H3,(H,20,24)
InChIKeyJMKUIZGNEOGDHN-UHFFFAOYSA-N
XLogP2.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133460307
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-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide
CID 133385875
6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide
CID 133385755
6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 39471295
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314
6-[benzyl(methyl)amino]-N-quinolin-3-ylpyridine-3-carboxamide
CID 10451671
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133385812) is 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nc1.
What is the InChIKey of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is JMKUIZGNEOGDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-5-11-20-19(24)16-9-10-18(21-13-16)23(4)14-15-7-6-8-17(12-15)22(2)3/h1,6-10,12-13H,11,14H2,2-4H3,(H,20,24).
What are the key properties of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133385812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).