N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C24H31N5O — CID 169421187

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCCN1CCC(Cc2cncc(C(=O)N(C)Cc3nc4ccccc4n3C)c2)C1
InChIInChI=1S/C24H31N5O/c1-4-10-29-11-9-18(16-29)12-19-13-20(15-25-14-19)24(30)27(2)17-23-26-21-7-5-6-8-22(21)28(23)3/h5-8,13-15,18H,4,9-12,16-17H2,1-3H3
InChIKeyUJBDWHQCPBYVAX-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.51
Rot. Bonds7

About N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 169421187) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID169421187
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCCN1CCC(Cc2cncc(C(=O)N(C)Cc3nc4ccccc4n3C)c2)C1
InChIInChI=1S/C24H31N5O/c1-4-10-29-11-9-18(16-29)12-19-13-20(15-25-14-19)24(30)27(2)17-23-26-21-7-5-6-8-22(21)28(23)3/h5-8,13-15,18H,4,9-12,16-17H2,1-3H3
InChIKeyUJBDWHQCPBYVAX-UHFFFAOYSA-N
XLogP3.51
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 95829439
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965703
N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42288785
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
formic acid;methyl 5-[[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 172896748
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42462769
1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 169421187) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is CCCN1CCC(Cc2cncc(C(=O)N(C)Cc3nc4ccccc4n3C)c2)C1.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is UJBDWHQCPBYVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-4-10-29-11-9-18(16-29)12-19-13-20(15-25-14-19)24(30)27(2)17-23-26-21-7-5-6-8-22(21)28(23)3/h5-8,13-15,18H,4,9-12,16-17H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 169421187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).