(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C21H23N3O3 — CID 97280642

IUPAC(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C21H23N3O3/c25-20-10-18(14-24(20)13-16-3-1-7-22-11-16)21(26)23-12-15-5-6-19-17(9-15)4-2-8-27-19/h1,3,5-7,9,11,18H,2,4,8,10,12-14H2,(H,23,26)/t18-/m1/s1
InChIKeyGYFKJBPYFRTIDC-GOSISDBHSA-N
MW365.43 g/mol
LogP2.07
Rot. Bonds5

About (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97280642) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97280642
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C21H23N3O3/c25-20-10-18(14-24(20)13-16-3-1-7-22-11-16)21(26)23-12-15-5-6-19-17(9-15)4-2-8-27-19/h1,3,5-7,9,11,18H,2,4,8,10,12-14H2,(H,23,26)/t18-/m1/s1
InChIKeyGYFKJBPYFRTIDC-GOSISDBHSA-N
XLogP2.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97188890
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 95199237
(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 95199236
5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 56705212
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
(3R)-N-(2-cyclohexylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280398
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
1-benzyl-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 47740008
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72903376
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 97280642) is (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is GYFKJBPYFRTIDC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20-10-18(14-24(20)13-16-3-1-7-22-11-16)21(26)23-12-15-5-6-19-17(9-15)4-2-8-27-19/h1,3,5-7,9,11,18H,2,4,8,10,12-14H2,(H,23,26)/t18-/m1/s1.
What are the key properties of (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97280642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).