6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide

C23H32N4O3 — CID 143374818

IUPAC6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(NC(=O)CCC3CC[C@@H](N4CCCC[C@@H]4C)C3)c(C(N)=O)oc2n1
InChIInChI=1S/C23H32N4O3/c1-14-6-10-18-20(21(22(24)29)30-23(18)25-14)26-19(28)11-8-16-7-9-17(13-16)27-12-4-3-5-15(27)2/h6,10,15-17H,3-5,7-9,11-13H2,1-2H3,(H2,24,29)(H,26,28)/t15-,16?,17+/m0/s1
InChIKeyLDDRBFZCZPXKKC-RPCGPGEBSA-N
MW412.53 g/mol
LogP4.00
Rot. Bonds6

About 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide

6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide (PubChem CID 143374818) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide
PubChem CID143374818
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(NC(=O)CCC3CC[C@@H](N4CCCC[C@@H]4C)C3)c(C(N)=O)oc2n1
InChIInChI=1S/C23H32N4O3/c1-14-6-10-18-20(21(22(24)29)30-23(18)25-14)26-19(28)11-8-16-7-9-17(13-16)27-12-4-3-5-15(27)2/h6,10,15-17H,3-5,7-9,11-13H2,1-2H3,(H2,24,29)(H,26,28)/t15-,16?,17+/m0/s1
InChIKeyLDDRBFZCZPXKKC-RPCGPGEBSA-N
XLogP4.00
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide (CID 143374818) is 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(NC(=O)CCC3CC[C@@H](N4CCCC[C@@H]4C)C3)c(C(N)=O)oc2n1.
What is the InChIKey of 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is LDDRBFZCZPXKKC-RPCGPGEBSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-14-6-10-18-20(21(22(24)29)30-23(18)25-14)26-19(28)11-8-16-7-9-17(13-16)27-12-4-3-5-15(27)2/h6,10,15-17H,3-5,7-9,11-13H2,1-2H3,(H2,24,29)(H,26,28)/t15-,16?,17+/m0/s1.
What are the key properties of 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide?
6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-[(3R)-3-[(2S)-2-methylpiperidin-1-yl]cyclopentyl]propanoylamino]furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143374818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).