N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide

C22H25N5O — CID 133428943

IUPACN-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCc1nccn1CC1CCCN1c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H25N5O/c1-17-23-11-13-26(17)16-20-8-5-12-27(20)19-9-10-24-21(14-19)22(28)25-15-18-6-3-2-4-7-18/h2-4,6-7,9-11,13-14,20H,5,8,12,15-16H2,1H3,(H,25,28)
InChIKeyRPWDWPULZIQCQM-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.19
Rot. Bonds6

About N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide

N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 133428943) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID133428943
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCc1nccn1CC1CCCN1c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H25N5O/c1-17-23-11-13-26(17)16-20-8-5-12-27(20)19-9-10-24-21(14-19)22(28)25-15-18-6-3-2-4-7-18/h2-4,6-7,9-11,13-14,20H,5,8,12,15-16H2,1H3,(H,25,28)
InChIKeyRPWDWPULZIQCQM-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258
4-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202928
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
CID 133355871
N-benzyl-4-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109217206
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635435
N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
CID 97316438
N-benzyl-4-[2-(2-methylphenyl)morpholin-4-yl]pyridine-2-carboxamide
CID 133354183
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide (CID 133428943) is N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide is Cc1nccn1CC1CCCN1c1ccnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is RPWDWPULZIQCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-23-11-13-26(17)16-20-8-5-12-27(20)19-9-10-24-21(14-19)22(28)25-15-18-6-3-2-4-7-18/h2-4,6-7,9-11,13-14,20H,5,8,12,15-16H2,1H3,(H,25,28).
What are the key properties of N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide?
N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 133428943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).