N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide

C25H28ClN5O3 — CID 163779769

IUPACN-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(CC1CCC(N2CCCC2)CC1)Nc1c(C(=O)Nc2ccc(Cl)cn2)oc2cccnc12
InChIInChI=1S/C25H28ClN5O3/c26-17-7-10-20(28-15-17)29-25(33)24-23(22-19(34-24)4-3-11-27-22)30-21(32)14-16-5-8-18(9-6-16)31-12-1-2-13-31/h3-4,7,10-11,15-16,18H,1-2,5-6,8-9,12-14H2,(H,30,32)(H,28,29,33)
InChIKeyMNQNRVNMJXTAQO-UHFFFAOYSA-N
MW481.98 g/mol
LogP5.11
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 163779769) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide
PubChem CID163779769
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(CC1CCC(N2CCCC2)CC1)Nc1c(C(=O)Nc2ccc(Cl)cn2)oc2cccnc12
InChIInChI=1S/C25H28ClN5O3/c26-17-7-10-20(28-15-17)29-25(33)24-23(22-19(34-24)4-3-11-27-22)30-21(32)14-16-5-8-18(9-6-16)31-12-1-2-13-31/h3-4,7,10-11,15-16,18H,1-2,5-6,8-9,12-14H2,(H,30,32)(H,28,29,33)
InChIKeyMNQNRVNMJXTAQO-UHFFFAOYSA-N
XLogP5.11
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.98
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide (CID 163779769) is N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide is O=C(CC1CCC(N2CCCC2)CC1)Nc1c(C(=O)Nc2ccc(Cl)cn2)oc2cccnc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is MNQNRVNMJXTAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c26-17-7-10-20(28-15-17)29-25(33)24-23(22-19(34-24)4-3-11-27-22)30-21(32)14-16-5-8-18(9-6-16)31-12-1-2-13-31/h3-4,7,10-11,15-16,18H,1-2,5-6,8-9,12-14H2,(H,30,32)(H,28,29,33).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 481.98 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[2-(4-pyrrolidin-1-ylcyclohexyl)acetyl]amino]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 163779769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).