N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide

C22H31N5O3S — CID 95104559

IUPACN-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NC4CCCCCC4)c3)nc2)C1
InChIInChI=1S/C22H31N5O3S/c1-17-7-6-12-27(14-17)31(29,30)19-10-11-21(23-13-19)26-15-20(24-16-26)22(28)25-18-8-4-2-3-5-9-18/h10-11,13,15-18H,2-9,12,14H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyFAMNIWAAHUDXMV-QGZVFWFLSA-N
MW445.59 g/mol
LogP3.14
Rot. Bonds5

About N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide

N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 95104559) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
PubChem CID95104559
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC NameN-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NC4CCCCCC4)c3)nc2)C1
InChIInChI=1S/C22H31N5O3S/c1-17-7-6-12-27(14-17)31(29,30)19-10-11-21(23-13-19)26-15-20(24-16-26)22(28)25-18-8-4-2-3-5-9-18/h10-11,13,15-18H,2-9,12,14H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyFAMNIWAAHUDXMV-QGZVFWFLSA-N
XLogP3.14
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide
CID 53179310
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104537
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53202877
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179277
N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179297
morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone
CID 53179301
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide (CID 95104559) is N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide is C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NC4CCCCCC4)c3)nc2)C1.
What is the InChIKey of N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is FAMNIWAAHUDXMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-17-7-6-12-27(14-17)31(29,30)19-10-11-21(23-13-19)26-15-20(24-16-26)22(28)25-18-8-4-2-3-5-9-18/h10-11,13,15-18H,2-9,12,14H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 95104559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).