(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide

C17H20N4O — CID 95150905

IUPAC(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CC[C@@H](Nc2ccccc2)C1
InChIInChI=1S/C17H20N4O/c22-17(19-12-15-8-4-5-10-18-15)21-11-9-16(13-21)20-14-6-2-1-3-7-14/h1-8,10,16,20H,9,11-13H2,(H,19,22)/t16-/m1/s1
InChIKeyHIMGHXGPTFOHBB-MRXNPFEDSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds4

About (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide

(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 95150905) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID95150905
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CC[C@@H](Nc2ccccc2)C1
InChIInChI=1S/C17H20N4O/c22-17(19-12-15-8-4-5-10-18-15)21-11-9-16(13-21)20-14-6-2-1-3-7-14/h1-8,10,16,20H,9,11-13H2,(H,19,22)/t16-/m1/s1
InChIKeyHIMGHXGPTFOHBB-MRXNPFEDSA-N
XLogP2.48
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 95309440
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989085
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
4-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108379
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide (CID 95150905) is (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccccn1)N1CC[C@@H](Nc2ccccc2)C1.
What is the InChIKey of (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is HIMGHXGPTFOHBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(19-12-15-8-4-5-10-18-15)21-11-9-16(13-21)20-14-6-2-1-3-7-14/h1-8,10,16,20H,9,11-13H2,(H,19,22)/t16-/m1/s1.
What are the key properties of (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95150905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).