N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide

C29H40N6O3 — CID 54771737

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C29H40N6O3/c36-29(23-3-6-27(31-21-23)34-16-19-37-20-17-34)32-24-4-1-22(2-5-24)8-11-33-12-14-35(15-13-33)28-25-9-18-38-26(25)7-10-30-28/h3,6-7,10,21-22,24H,1-2,4-5,8-9,11-20H2,(H,32,36)
InChIKeySWYRWYLIJXJVNV-UHFFFAOYSA-N
MW520.68 g/mol
LogP2.75
Rot. Bonds7

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 54771737) has the molecular formula C29H40N6O3 and a molecular weight of 520.68 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID54771737
Molecular FormulaC29H40N6O3
Molecular Weight520.68 g/mol
Exact Mass520.32
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C29H40N6O3/c36-29(23-3-6-27(31-21-23)34-16-19-37-20-17-34)32-24-4-1-22(2-5-24)8-11-33-12-14-35(15-13-33)28-25-9-18-38-26(25)7-10-30-28/h3,6-7,10,21-22,24H,1-2,4-5,8-9,11-20H2,(H,32,36)
InChIKeySWYRWYLIJXJVNV-UHFFFAOYSA-N
XLogP2.75
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-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-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 54771737) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is SWYRWYLIJXJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O3/c36-29(23-3-6-27(31-21-23)34-16-19-37-20-17-34)32-24-4-1-22(2-5-24)8-11-33-12-14-35(15-13-33)28-25-9-18-38-26(25)7-10-30-28/h3,6-7,10,21-22,24H,1-2,4-5,8-9,11-20H2,(H,32,36).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 520.68 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 54771737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).