N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide

C26H24N4O2 — CID 155589102

IUPACN-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc3cc(-c4ccccc4)c(-c4ccccc4)nc3cn2)C1
InChIInChI=1S/C26H24N4O2/c1-32-21-12-13-30(17-21)26(31)29-24-15-20-14-22(18-8-4-2-5-9-18)25(28-23(20)16-27-24)19-10-6-3-7-11-19/h2-11,14-16,21H,12-13,17H2,1H3,(H,27,29,31)
InChIKeyMZTKTLSUFMXGCD-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.22
Rot. Bonds4

About N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide

N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide (PubChem CID 155589102) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide
PubChem CID155589102
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc3cc(-c4ccccc4)c(-c4ccccc4)nc3cn2)C1
InChIInChI=1S/C26H24N4O2/c1-32-21-12-13-30(17-21)26(31)29-24-15-20-14-22(18-8-4-2-5-9-18)25(28-23(20)16-27-24)19-10-6-3-7-11-19/h2-11,14-16,21H,12-13,17H2,1H3,(H,27,29,31)
InChIKeyMZTKTLSUFMXGCD-UHFFFAOYSA-N
XLogP5.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 137474866
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
(3S)-N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 166705234
1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one
CID 167561104
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 103531291
(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 167980238
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583
N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59301365

Frequently Asked Questions

What is the IUPAC name of N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide (CID 155589102) is N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide is COC1CCN(C(=O)Nc2cc3cc(-c4ccccc4)c(-c4ccccc4)nc3cn2)C1.
What is the InChIKey of N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide?
The InChIKey is MZTKTLSUFMXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-21-12-13-30(17-21)26(31)29-24-15-20-14-22(18-8-4-2-5-9-18)25(28-23(20)16-27-24)19-10-6-3-7-11-19/h2-11,14-16,21H,12-13,17H2,1H3,(H,27,29,31).
What are the key properties of N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide?
N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diphenyl-1,7-naphthyridin-6-yl)-3-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 155589102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).