N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide

C17H19N3O3 — CID 91954804

IUPACN-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-19(2)15(21)10-11-18-17(23)13-8-9-16(22)20(12-13)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,18,23)
InChIKeyKHWXFBPMTWNATJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.05
Rot. Bonds5

About N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 91954804) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID91954804
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-19(2)15(21)10-11-18-17(23)13-8-9-16(22)20(12-13)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,18,23)
InChIKeyKHWXFBPMTWNATJ-UHFFFAOYSA-N
XLogP1.05
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628
N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954874
N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954843
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255
N-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55959369
N-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydroxybenzamide
CID 103955611
N-(4-hydroxycyclohexyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 100815207
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166160
N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954850
1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
CID 91955095
methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
CID 91945548

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide (CID 91954804) is N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide is CN(C)C(=O)CCNC(=O)c1ccc(=O)n(-c2ccccc2)c1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is KHWXFBPMTWNATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19(2)15(21)10-11-18-17(23)13-8-9-16(22)20(12-13)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,18,23).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 91954804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).