(3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C19H27N3O4 — CID 97272891

IUPAC(3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1(CO)CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C19H27N3O4/c1-21(13-19(14-23)4-8-26-9-5-19)18(25)16-10-17(24)22(12-16)11-15-2-6-20-7-3-15/h2-3,6-7,16,23H,4-5,8-14H2,1H3/t16-/m1/s1
InChIKeyBPMNXGIQZLZRCB-MRXNPFEDSA-N
MW361.44 g/mol
LogP0.68
Rot. Bonds6

About (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

(3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97272891) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97272891
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1(CO)CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C19H27N3O4/c1-21(13-19(14-23)4-8-26-9-5-19)18(25)16-10-17(24)22(12-16)11-15-2-6-20-7-3-15/h2-3,6-7,16,23H,4-5,8-14H2,1H3/t16-/m1/s1
InChIKeyBPMNXGIQZLZRCB-MRXNPFEDSA-N
XLogP0.68
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113184178
(3S)-1-[(4-ethylphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99982975
4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 74233567
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 119211110
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72936014
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
(4S)-4-(4-phenyl-1,4-diazepane-1-carbonyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 97196301
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97270111

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 97272891) is (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is CN(CC1(CO)CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is BPMNXGIQZLZRCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-21(13-19(14-23)4-8-26-9-5-19)18(25)16-10-17(24)22(12-16)11-15-2-6-20-7-3-15/h2-3,6-7,16,23H,4-5,8-14H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97272891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).