(1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

C31H38N6O4 — CID 123371614

IUPAC(1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CCCCC1
InChIInChI=1S/C31H38N6O4/c32-30(39)31(10-2-1-3-11-31)41-29(38)21-6-14-37(15-7-21)28-25-5-12-33-20-23(25)18-26(36-28)22-4-13-34-27(19-22)35-24-8-16-40-17-9-24/h4-5,12-13,18-21,24H,1-3,6-11,14-17H2,(H2,32,39)(H,34,35)
InChIKeyAMBHXZQZEMHHGX-UHFFFAOYSA-N
MW558.68 g/mol
LogP4.23
Rot. Bonds7

About (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

(1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (PubChem CID 123371614) has the molecular formula C31H38N6O4 and a molecular weight of 558.68 g/mol. Its IUPAC name is (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
PubChem CID123371614
Molecular FormulaC31H38N6O4
Molecular Weight558.68 g/mol
Exact Mass558.30
IUPAC Name(1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CCCCC1
InChIInChI=1S/C31H38N6O4/c32-30(39)31(10-2-1-3-11-31)41-29(38)21-6-14-37(15-7-21)28-25-5-12-33-20-23(25)18-26(36-28)22-4-13-34-27(19-22)35-24-8-16-40-17-9-24/h4-5,12-13,18-21,24H,1-3,6-11,14-17H2,(H2,32,39)(H,34,35)
InChIKeyAMBHXZQZEMHHGX-UHFFFAOYSA-N
XLogP4.23
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.68
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate 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

4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)-amide
CID 46900891
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
(3R)-3-quinolin-3-yl-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 44395933
2-Amino-1-(4-{3-[2-(tetrahydropyran-4-ylamino)pyridin-4-yl]-[2,6]naphthyridin-1-yl}piperazin-1-yl)ethanone
CID 46900231
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Amide
CID 46900232
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid Amide
CID 46900233
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid Methylamide
CID 46900234
{1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidin-4-yl}-(4-hydroxypiperidin-1-yl)methanone
CID 46900385
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylicAcidEthylamide
CID 46900386
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid Isopropylamide
CID 46900387

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The IUPAC name of (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (CID 123371614) is (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.
What is the SMILES notation for (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The canonical SMILES for (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is NC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CCCCC1.
What is the InChIKey of (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The InChIKey is AMBHXZQZEMHHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O4/c32-30(39)31(10-2-1-3-11-31)41-29(38)21-6-14-37(15-7-21)28-25-5-12-33-20-23(25)18-26(36-28)22-4-13-34-27(19-22)35-24-8-16-40-17-9-24/h4-5,12-13,18-21,24H,1-3,6-11,14-17H2,(H2,32,39)(H,34,35).
What are the key properties of (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
(1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate has a molecular weight of 558.68 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclohexyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is sourced from PubChem (CID 123371614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).