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

C29H37N7O2 — CID 67026493

IUPAC1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide
SMILESO=C(NN1CCCCC1)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C29H37N7O2/c37-29(34-36-12-2-1-3-13-36)21-6-14-35(15-7-21)28-25-5-10-30-20-23(25)18-26(33-28)22-4-11-31-27(19-22)32-24-8-16-38-17-9-24/h4-5,10-11,18-21,24H,1-3,6-9,12-17H2,(H,31,32)(H,34,37)
InChIKeySYHNSOORDXPLKP-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.02
Rot. Bonds6

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

1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 67026493) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID67026493
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC Name1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide
SMILESO=C(NN1CCCCC1)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C29H37N7O2/c37-29(34-36-12-2-1-3-13-36)21-6-14-35(15-7-21)28-25-5-10-30-20-23(25)18-26(33-28)22-4-11-31-27(19-22)32-24-8-16-38-17-9-24/h4-5,10-11,18-21,24H,1-3,6-9,12-17H2,(H,31,32)(H,34,37)
InChIKeySYHNSOORDXPLKP-UHFFFAOYSA-N
XLogP4.02
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide (CID 67026493) is 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide is O=C(NN1CCCCC1)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is SYHNSOORDXPLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c37-29(34-36-12-2-1-3-13-36)21-6-14-35(15-7-21)28-25-5-10-30-20-23(25)18-26(33-28)22-4-11-31-27(19-22)32-24-8-16-38-17-9-24/h4-5,10-11,18-21,24H,1-3,6-9,12-17H2,(H,31,32)(H,34,37).
What are the key properties of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide?
1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 67026493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).