N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide

C20H23N5O — CID 56710846

IUPACN-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCC1CCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H23N5O/c1-14-10-21-8-6-16(14)20(26)22-11-15-7-9-25(12-15)13-19-23-17-4-2-3-5-18(17)24-19/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyGCBWVNTWHFUFGI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.52
Rot. Bonds5

About N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide

N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide (PubChem CID 56710846) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
PubChem CID56710846
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCC1CCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H23N5O/c1-14-10-21-8-6-16(14)20(26)22-11-15-7-9-25(12-15)13-19-23-17-4-2-3-5-18(17)24-19/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyGCBWVNTWHFUFGI-UHFFFAOYSA-N
XLogP2.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
CID 170152724
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N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 86806429
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95199376
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 56786848
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 128903538
N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
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4-[(3S)-1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 95729737
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide (CID 56710846) is N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)NCC1CCN(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
The InChIKey is GCBWVNTWHFUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-10-21-8-6-16(14)20(26)22-11-15-7-9-25(12-15)13-19-23-17-4-2-3-5-18(17)24-19/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 56710846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).