N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide

C17H20N4O2 — CID 86804652

IUPACN-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)N(CCC(N)=O)c2ccccc2)c1
InChIInChI=1S/C17H20N4O2/c1-20(2)14-8-10-19-15(12-14)17(23)21(11-9-16(18)22)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H2,18,22)
InChIKeyGXCICNVNILUDIJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.67
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide

N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide (PubChem CID 86804652) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide
PubChem CID86804652
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)N(CCC(N)=O)c2ccccc2)c1
InChIInChI=1S/C17H20N4O2/c1-20(2)14-8-10-19-15(12-14)17(23)21(11-9-16(18)22)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H2,18,22)
InChIKeyGXCICNVNILUDIJ-UHFFFAOYSA-N
XLogP1.67
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 99827801
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 65200020
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide
CID 126791455
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
CID 107974128

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide (CID 86804652) is N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide is CN(C)c1ccnc(C(=O)N(CCC(N)=O)c2ccccc2)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide?
The InChIKey is GXCICNVNILUDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(2)14-8-10-19-15(12-14)17(23)21(11-9-16(18)22)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H2,18,22).
What are the key properties of N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide?
N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 86804652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).