N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide

C23H27N7O2 — CID 138588021

IUPACN-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide
SMILESO=C(Nc1cc2nc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCOCC1
InChIInChI=1S/C23H27N7O2/c31-23(15-5-9-32-10-6-15)30-21-11-19-16(12-26-21)1-2-18(28-19)20-13-25-14-22(29-20)27-17-3-7-24-8-4-17/h1-2,11-15,17,24H,3-10H2,(H,27,29)(H,26,30,31)
InChIKeyIVJGKSPBWDUUAJ-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.62
Rot. Bonds5

About N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide

N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide (PubChem CID 138588021) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide
PubChem CID138588021
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide
SMILESO=C(Nc1cc2nc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCOCC1
InChIInChI=1S/C23H27N7O2/c31-23(15-5-9-32-10-6-15)30-21-11-19-16(12-26-21)1-2-18(28-19)20-13-25-14-22(29-20)27-17-3-7-24-8-4-17/h1-2,11-15,17,24H,3-10H2,(H,27,29)(H,26,30,31)
InChIKeyIVJGKSPBWDUUAJ-UHFFFAOYSA-N
XLogP2.62
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
CID 138586342
4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138590652
4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide
CID 138589444
4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide
CID 138590307
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 138589617
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138588625
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
4-(1,3-difluoropropan-2-ylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138586981
1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138592093

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide?
The IUPAC name of N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide (CID 138588021) is N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide is O=C(Nc1cc2nc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCOCC1.
What is the InChIKey of N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide?
The InChIKey is IVJGKSPBWDUUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c31-23(15-5-9-32-10-6-15)30-21-11-19-16(12-26-21)1-2-18(28-19)20-13-25-14-22(29-20)27-17-3-7-24-8-4-17/h1-2,11-15,17,24H,3-10H2,(H,27,29)(H,26,30,31).
What are the key properties of N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide?
N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide is sourced from PubChem (CID 138588021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).