6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide

C27H31ClN6O4 — CID 142922485

IUPAC6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cnc2c(NC(=O)[C@H]3CCCC(N4CCCC4)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1
InChIInChI=1S/C27H31ClN6O4/c1-16(35)31-19-13-21-23(30-15-19)24(25(38-21)27(37)32-22-10-8-18(28)14-29-22)33-26(36)17-5-4-6-20(9-7-17)34-11-2-3-12-34/h8,10,13-15,17,20H,2-7,9,11-12H2,1H3,(H,31,35)(H,33,36)(H,29,32,37)/t17-,20?/m0/s1
InChIKeyDVYJXEIXKUCUIW-DIMJTDRSSA-N
MW539.04 g/mol
LogP5.07
Rot. Bonds6

About 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide

6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 142922485) has the molecular formula C27H31ClN6O4 and a molecular weight of 539.04 g/mol. Its IUPAC name is 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide
PubChem CID142922485
Molecular FormulaC27H31ClN6O4
Molecular Weight539.04 g/mol
Exact Mass538.21
IUPAC Name6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cnc2c(NC(=O)[C@H]3CCCC(N4CCCC4)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1
InChIInChI=1S/C27H31ClN6O4/c1-16(35)31-19-13-21-23(30-15-19)24(25(38-21)27(37)32-22-10-8-18(28)14-29-22)33-26(36)17-5-4-6-20(9-7-17)34-11-2-3-12-34/h8,10,13-15,17,20H,2-7,9,11-12H2,1H3,(H,31,35)(H,33,36)(H,29,32,37)/t17-,20?/m0/s1
InChIKeyDVYJXEIXKUCUIW-DIMJTDRSSA-N
XLogP5.07
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.04
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

6-acetamido-N-(5-chloro-2-pyridinyl)-3-[(4-pyrrolidin-1-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide
CID 10098337
2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]-1-benzofuran-5-carboxylic acid
CID 10239489
methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate
CID 10415296
N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide
CID 163779769
N-(5-chloro-2-pyridinyl)-3-[[4-(methylamino)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;trihydrochloride
CID 23088716
N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen
CID 159376707
N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide
CID 23088738
5-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 23062550
2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-5-carboxylic acid
CID 10392551
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]piperidine-4-carboxamide
CID 23062699
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 10289015
N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
CID 142811992

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide (CID 142922485) is 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide is CC(=O)Nc1cnc2c(NC(=O)[C@H]3CCCC(N4CCCC4)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1.
What is the InChIKey of 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is DVYJXEIXKUCUIW-DIMJTDRSSA-N. The full InChI is InChI=1S/C27H31ClN6O4/c1-16(35)31-19-13-21-23(30-15-19)24(25(38-21)27(37)32-22-10-8-18(28)14-29-22)33-26(36)17-5-4-6-20(9-7-17)34-11-2-3-12-34/h8,10,13-15,17,20H,2-7,9,11-12H2,1H3,(H,31,35)(H,33,36)(H,29,32,37)/t17-,20?/m0/s1.
What are the key properties of 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?
6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 539.04 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(5-chloro-2-pyridinyl)-3-[[(1S)-4-pyrrolidin-1-ylcycloheptanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 142922485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).