N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide

C24H29N5O — CID 72931964

IUPACN-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C24H29N5O/c1-19-5-2-3-7-22(19)17-28-11-8-20(9-12-28)15-29(16-21-6-4-10-25-13-21)24(30)23-14-26-18-27-23/h2-7,10,13-14,18,20H,8-9,11-12,15-17H2,1H3,(H,26,27)
InChIKeyWROMWLRNEMOJJC-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.67
Rot. Bonds7

About N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide

N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide (PubChem CID 72931964) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide
PubChem CID72931964
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C24H29N5O/c1-19-5-2-3-7-22(19)17-28-11-8-20(9-12-28)15-29(16-21-6-4-10-25-13-21)24(30)23-14-26-18-27-23/h2-7,10,13-14,18,20H,8-9,11-12,15-17H2,1H3,(H,26,27)
InChIKeyWROMWLRNEMOJJC-UHFFFAOYSA-N
XLogP3.67
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42198078
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopentene-1-carboxamide
CID 42592854
N,N-dimethyl-N'-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 42293134
2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 42292345
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 25289387
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42520313
1-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 25274827
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74775024
N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 42291823
N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 42518407
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 42512485
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide (CID 72931964) is N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide is Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2cnc[nH]2)CC1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide?
The InChIKey is WROMWLRNEMOJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-19-5-2-3-7-22(19)17-28-11-8-20(9-12-28)15-29(16-21-6-4-10-25-13-21)24(30)23-14-26-18-27-23/h2-7,10,13-14,18,20H,8-9,11-12,15-17H2,1H3,(H,26,27).
What are the key properties of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide?
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 72931964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).