N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide

C17H15ClN4O — CID 95549573

IUPACN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-15(21-10-20-11)17(23)22-16(13-6-8-19-9-7-13)12-2-4-14(18)5-3-12/h2-10,16H,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyMWPRZCUDOIHTSL-MRXNPFEDSA-N
MW326.79 g/mol
LogP3.29
Rot. Bonds4

About N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide

N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 95549573) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID95549573
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-15(21-10-20-11)17(23)22-16(13-6-8-19-9-7-13)12-2-4-14(18)5-3-12/h2-10,16H,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyMWPRZCUDOIHTSL-MRXNPFEDSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide
CID 95200610
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 110245206
5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56712996
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 99938366
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 51495960
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 78849670
N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 99929721
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
1-[(4-chlorophenyl)methyl]-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]triazole-4-carboxamide
CID 26393289

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide (CID 95549573) is N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is MWPRZCUDOIHTSL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-15(21-10-20-11)17(23)22-16(13-6-8-19-9-7-13)12-2-4-14(18)5-3-12/h2-10,16H,1H3,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 95549573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).