1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

C31H41N7O — CID 46900235

IUPAC1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C31H41N7O/c39-31(34-14-19-37-15-4-5-16-37)23-10-17-38(18-11-23)30-27-9-12-32-22-25(27)20-28(36-30)24-8-13-33-29(21-24)35-26-6-2-1-3-7-26/h8-9,12-13,20-23,26H,1-7,10-11,14-19H2,(H,33,35)(H,34,39)
InChIKeyWODNONNHFKQLKU-UHFFFAOYSA-N
MW527.72 g/mol
LogP4.86
Rot. Bonds8

About 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 46900235) has the molecular formula C31H41N7O and a molecular weight of 527.72 g/mol. Its IUPAC name is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID46900235
Molecular FormulaC31H41N7O
Molecular Weight527.72 g/mol
Exact Mass527.34
IUPAC Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C31H41N7O/c39-31(34-14-19-37-15-4-5-16-37)23-10-17-38(18-11-23)30-27-9-12-32-22-25(27)20-28(36-30)24-8-13-33-29(21-24)35-26-6-2-1-3-7-26/h8-9,12-13,20-23,26H,1-7,10-11,14-19H2,(H,33,35)(H,34,39)
InChIKeyWODNONNHFKQLKU-UHFFFAOYSA-N
XLogP4.86
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.72
LogP ≤ 54.86
H-Bond Donors ≤ 52
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-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 46900235) is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is WODNONNHFKQLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O/c39-31(34-14-19-37-15-4-5-16-37)23-10-17-38(18-11-23)30-27-9-12-32-22-25(27)20-28(36-30)24-8-13-33-29(21-24)35-26-6-2-1-3-7-26/h8-9,12-13,20-23,26H,1-7,10-11,14-19H2,(H,33,35)(H,34,39).
What are the key properties of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 527.72 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 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-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46900235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).