3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide

C28H33N5O6S — CID 21036426

IUPAC3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2(C(=O)NC3CCC(C)N(S(=O)(=O)c4ccccn4)CC3=O)CCCCC2)oc2cccnc12
InChIInChI=1S/C28H33N5O6S/c1-18-11-12-20(21(34)17-33(18)40(37,38)23-10-4-7-15-29-23)31-27(36)28(13-5-3-6-14-28)32-26(35)25-19(2)24-22(39-25)9-8-16-30-24/h4,7-10,15-16,18,20H,3,5-6,11-14,17H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyLOWRYOOFNUMMMS-UHFFFAOYSA-N
MW567.67 g/mol
LogP2.89
Rot. Bonds6

About 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide

3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 21036426) has the molecular formula C28H33N5O6S and a molecular weight of 567.67 g/mol. Its IUPAC name is 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide
PubChem CID21036426
Molecular FormulaC28H33N5O6S
Molecular Weight567.67 g/mol
Exact Mass567.22
IUPAC Name3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2(C(=O)NC3CCC(C)N(S(=O)(=O)c4ccccn4)CC3=O)CCCCC2)oc2cccnc12
InChIInChI=1S/C28H33N5O6S/c1-18-11-12-20(21(34)17-33(18)40(37,38)23-10-4-7-15-29-23)31-27(36)28(13-5-3-6-14-28)32-26(35)25-19(2)24-22(39-25)9-8-16-30-24/h4,7-10,15-16,18,20H,3,5-6,11-14,17H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyLOWRYOOFNUMMMS-UHFFFAOYSA-N
XLogP2.89
TPSA151.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.67
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-[[(4S,7S)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]carbamoyl]cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
CID 10175182
N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide
CID 59827289
N-[4-methyl-1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 21036468
N-[(2R)-3-(1-methylcyclohexyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 10393099
N-[1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]carbamoyl]cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
CID 10289862
(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-N-[(7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]pentanamide
CID 142087256
N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide
CID 140500262
1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide
CID 69310639
1-N'-[(3R,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]cyclohexane-1,1-dicarboxamide
CID 69003326
N-[(2S)-3-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 10031327
N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]quinoline-3-carboxamide
CID 10302818
(2S)-4-methyl-N-[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]-2-(3-phenylphenyl)pentanamide
CID 139968472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide (CID 21036426) is 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide is Cc1c(C(=O)NC2(C(=O)NC3CCC(C)N(S(=O)(=O)c4ccccn4)CC3=O)CCCCC2)oc2cccnc12.
What is the InChIKey of 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is LOWRYOOFNUMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O6S/c1-18-11-12-20(21(34)17-33(18)40(37,38)23-10-4-7-15-29-23)31-27(36)28(13-5-3-6-14-28)32-26(35)25-19(2)24-22(39-25)9-8-16-30-24/h4,7-10,15-16,18,20H,3,5-6,11-14,17H2,1-2H3,(H,31,36)(H,32,35).
What are the key properties of 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide?
3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 567.67 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 21036426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).