N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide

C23H28N4O2 — CID 146430205

IUPACN-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(c2ccccc2)N3)C1
InChIInChI=1S/C23H28N4O2/c1-16(28)26(3)20-10-12-27(15-20)22(29)18-13-17-9-11-23(2,25-21(17)24-14-18)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,25)/t20-,23?/m0/s1
InChIKeyWZQHHXWADAWCBZ-AJZOCDQUSA-N
MW392.50 g/mol
LogP3.05
Rot. Bonds3

About N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide

N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 146430205) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID146430205
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(c2ccccc2)N3)C1
InChIInChI=1S/C23H28N4O2/c1-16(28)26(3)20-10-12-27(15-20)22(29)18-13-17-9-11-23(2,25-21(17)24-14-18)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,25)/t20-,23?/m0/s1
InChIKeyWZQHHXWADAWCBZ-AJZOCDQUSA-N
XLogP3.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 146436304
N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 155392212
N-[(3S)-1-[2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146430085
N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430206
N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146430126
N-[(3S)-1-(3,3-dimethyl-4,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-8-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
CID 139351335
[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-[(3S)-3-(1,3-oxazolidin-3-yl)pyrrolidin-1-yl]methanone
CID 146430192
N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 139351328
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
3-[(3S)-1-[2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146430135
N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146670880
N-[(3S)-1-[6-[[(1S)-1-(3H-benzimidazol-5-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146665102

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 146430205) is N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(c2ccccc2)N3)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is WZQHHXWADAWCBZ-AJZOCDQUSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(28)26(3)20-10-12-27(15-20)22(29)18-13-17-9-11-23(2,25-21(17)24-14-18)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,25)/t20-,23?/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146430205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).