(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

C17H24N4O2 — CID 97311922

IUPAC(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCc2ccnc(N3CCCCC3)c2)CC1=O
InChIInChI=1S/C17H24N4O2/c1-20-12-14(10-16(20)22)17(23)19-11-13-5-6-18-15(9-13)21-7-3-2-4-8-21/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyVDYZAPZHTYSONF-CQSZACIVSA-N
MW316.40 g/mol
LogP1.17
Rot. Bonds4

About (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 97311922) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID97311922
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCc2ccnc(N3CCCCC3)c2)CC1=O
InChIInChI=1S/C17H24N4O2/c1-20-12-14(10-16(20)22)17(23)19-11-13-5-6-18-15(9-13)21-7-3-2-4-8-21/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyVDYZAPZHTYSONF-CQSZACIVSA-N
XLogP1.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51077316
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55567039
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 37053630
1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55745814
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841355
(5S)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661556
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 97311922) is (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is CN1C[C@H](C(=O)NCc2ccnc(N3CCCCC3)c2)CC1=O.
What is the InChIKey of (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is VDYZAPZHTYSONF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-12-14(10-16(20)22)17(23)19-11-13-5-6-18-15(9-13)21-7-3-2-4-8-21/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97311922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).