5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide

C19H21N5O3S — CID 129315733

IUPAC5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)NC(C)C
InChIInChI=1S/C19H21N5O3S/c1-11(2)22-19(25)17-12(3)23-18(24-17)16-8-13(5-6-21-16)14-7-15(10-20-9-14)28(4,26)27/h5-11H,1-4H3,(H,22,25)(H,23,24)
InChIKeyYPSJGDFFLRZMDN-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.38
Rot. Bonds5

About 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide

5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide (PubChem CID 129315733) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
PubChem CID129315733
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)NC(C)C
InChIInChI=1S/C19H21N5O3S/c1-11(2)22-19(25)17-12(3)23-18(24-17)16-8-13(5-6-21-16)14-7-15(10-20-9-14)28(4,26)27/h5-11H,1-4H3,(H,22,25)(H,23,24)
InChIKeyYPSJGDFFLRZMDN-UHFFFAOYSA-N
XLogP2.38
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-2-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid [2-(4-ethanesulfonylamino-phenyl)-ethyl]-amide
CID 24782785
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766675
2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71765015
6-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415225
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71765014
N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide
CID 66613756
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726494
N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71728280
N-tert-butyl-2-(3-(methylsulfonyl)phenylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295275
N-tert-butyl-2-(4-(methylsulfonyl)phenylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295614
N-tert-butyl-2-(5-(methylsulfonyl)pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295779
N-tert-butyl-2-(2-(methylsulfonyl)pyridin-4-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295780

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide (CID 129315733) is 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)NC(C)C.
What is the InChIKey of 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
The InChIKey is YPSJGDFFLRZMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-11(2)22-19(25)17-12(3)23-18(24-17)16-8-13(5-6-21-16)14-7-15(10-20-9-14)28(4,26)27/h5-11H,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).