N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide

C40H48N6O4 — CID 123768617

IUPACN-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cncc(C3CCC(C(C)NC(=O)c4ccc(COc5cccnc5)nc4)CC3)c2)nc1)C1CCCCC1
InChIInChI=1S/C40H48N6O4/c1-27(29-7-4-3-5-8-29)45-39(47)32-15-17-36(44-22-32)26-50-38-19-34(20-42-24-38)31-12-10-30(11-13-31)28(2)46-40(48)33-14-16-35(43-21-33)25-49-37-9-6-18-41-23-37/h6,9,14-24,27-31H,3-5,7-8,10-13,25-26H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyUCCDMDWZWJFRAG-UHFFFAOYSA-N
MW676.86 g/mol
LogP7.22
Rot. Bonds13

About N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide

N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide (PubChem CID 123768617) has the molecular formula C40H48N6O4 and a molecular weight of 676.86 g/mol. Its IUPAC name is N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
PubChem CID123768617
Molecular FormulaC40H48N6O4
Molecular Weight676.86 g/mol
Exact Mass676.37
IUPAC NameN-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cncc(C3CCC(C(C)NC(=O)c4ccc(COc5cccnc5)nc4)CC3)c2)nc1)C1CCCCC1
InChIInChI=1S/C40H48N6O4/c1-27(29-7-4-3-5-8-29)45-39(47)32-15-17-36(44-22-32)26-50-38-19-34(20-42-24-38)31-12-10-30(11-13-31)28(2)46-40(48)33-14-16-35(43-21-33)25-49-37-9-6-18-41-23-37/h6,9,14-24,27-31H,3-5,7-8,10-13,25-26H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyUCCDMDWZWJFRAG-UHFFFAOYSA-N
XLogP7.22
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-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

Related Compounds

Azd-3161
CID 56945146
5-({3-[4-(Morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
CID 121231415
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 25225718
6-cyano-N-[(3R)-3-[4-[4-(2-methoxyethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 44511871
N-[(3R)-3-[4-[4-(2-amino-2-oxoethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-6-cyano-2,4-dimethylpyridine-3-carboxamide
CID 57402802
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoro-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 90643915
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060382
US9546152, example 48
CID 74222754
5-[[3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155865
5-[[3-[(4-Phenylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155887
5-[[3-[(4-Cyclohexylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155894
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-(furan-2-yl)pyridine-3-carboxamide
CID 124155906

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide (CID 123768617) is N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2cncc(C3CCC(C(C)NC(=O)c4ccc(COc5cccnc5)nc4)CC3)c2)nc1)C1CCCCC1.
What is the InChIKey of N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
The InChIKey is UCCDMDWZWJFRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N6O4/c1-27(29-7-4-3-5-8-29)45-39(47)32-15-17-36(44-22-32)26-50-38-19-34(20-42-24-38)31-12-10-30(11-13-31)28(2)46-40(48)33-14-16-35(43-21-33)25-49-37-9-6-18-41-23-37/h6,9,14-24,27-31H,3-5,7-8,10-13,25-26H2,1-2H3,(H,45,47)(H,46,48).
What are the key properties of N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide has a molecular weight of 676.86 g/mol, XLogP of 7.22, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123768617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).