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

C28H35ClN6O — CID 67026529

IUPAC1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3Cl)cc3cnccc23)CC1
InChIInChI=1S/C28H35ClN6O/c1-18(2)32-28(36)19-10-14-35(15-11-19)27-22-8-12-30-17-20(22)16-24(34-27)23-9-13-31-26(25(23)29)33-21-6-4-3-5-7-21/h8-9,12-13,16-19,21H,3-7,10-11,14-15H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyLMYGZOXOQXRGSE-UHFFFAOYSA-N
MW507.08 g/mol
LogP5.83
Rot. Bonds6

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

1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 67026529) has the molecular formula C28H35ClN6O and a molecular weight of 507.08 g/mol. Its IUPAC name is 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID67026529
Molecular FormulaC28H35ClN6O
Molecular Weight507.08 g/mol
Exact Mass506.26
IUPAC Name1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3Cl)cc3cnccc23)CC1
InChIInChI=1S/C28H35ClN6O/c1-18(2)32-28(36)19-10-14-35(15-11-19)27-22-8-12-30-17-20(22)16-24(34-27)23-9-13-31-26(25(23)29)33-21-6-4-3-5-7-21/h8-9,12-13,16-19,21H,3-7,10-11,14-15H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyLMYGZOXOQXRGSE-UHFFFAOYSA-N
XLogP5.83
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 67026529) is 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3Cl)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is LMYGZOXOQXRGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6O/c1-18(2)32-28(36)19-10-14-35(15-11-19)27-22-8-12-30-17-20(22)16-24(34-27)23-9-13-31-26(25(23)29)33-21-6-4-3-5-7-21/h8-9,12-13,16-19,21H,3-7,10-11,14-15H2,1-2H3,(H,31,33)(H,32,36).
What are the key properties of 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 507.08 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 67026529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).