1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide

C30H39N7O — CID 46901056

IUPAC1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCNCC1)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C30H39N7O/c38-30(35-25-7-12-31-13-8-25)21-10-16-37(17-11-21)29-26-9-14-32-20-23(26)18-27(36-29)22-6-15-33-28(19-22)34-24-4-2-1-3-5-24/h6,9,14-15,18-21,24-25,31H,1-5,7-8,10-13,16-17H2,(H,33,34)(H,35,38)
InChIKeyKOUMYNHGYBRABF-UHFFFAOYSA-N
MW513.69 g/mol
LogP4.52
Rot. Bonds6

About 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide

1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide (PubChem CID 46901056) has the molecular formula C30H39N7O and a molecular weight of 513.69 g/mol. Its IUPAC name is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide
PubChem CID46901056
Molecular FormulaC30H39N7O
Molecular Weight513.69 g/mol
Exact Mass513.32
IUPAC Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCNCC1)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C30H39N7O/c38-30(35-25-7-12-31-13-8-25)21-10-16-37(17-11-21)29-26-9-14-32-20-23(26)18-27(36-29)22-6-15-33-28(19-22)34-24-4-2-1-3-5-24/h6,9,14-15,18-21,24-25,31H,1-5,7-8,10-13,16-17H2,(H,33,34)(H,35,38)
InChIKeyKOUMYNHGYBRABF-UHFFFAOYSA-N
XLogP4.52
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.69
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide (CID 46901056) is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide is O=C(NC1CCNCC1)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide?
The InChIKey is KOUMYNHGYBRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O/c38-30(35-25-7-12-31-13-8-25)21-10-16-37(17-11-21)29-26-9-14-32-20-23(26)18-27(36-29)22-6-15-33-28(19-22)34-24-4-2-1-3-5-24/h6,9,14-15,18-21,24-25,31H,1-5,7-8,10-13,16-17H2,(H,33,34)(H,35,38).
What are the key properties of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide?
1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide has a molecular weight of 513.69 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46901056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).