1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C27H28N4O3 — CID 10161450

IUPAC1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(-c2cccc(-c3ccc(C(C)(C)O)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C27H28N4O3/c1-17(2)14-30-26(33)22-16-31(25-21(24(22)32)9-6-12-28-25)20-8-5-7-18(13-20)19-10-11-23(29-15-19)27(3,4)34/h5-13,15-17,34H,14H2,1-4H3,(H,30,33)
InChIKeyZRVOQDQSNLZUOV-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.06
Rot. Bonds6

About 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10161450) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10161450
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(-c2cccc(-c3ccc(C(C)(C)O)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C27H28N4O3/c1-17(2)14-30-26(33)22-16-31(25-21(24(22)32)9-6-12-28-25)20-8-5-7-18(13-20)19-10-11-23(29-15-19)27(3,4)34/h5-13,15-17,34H,14H2,1-4H3,(H,30,33)
InChIKeyZRVOQDQSNLZUOV-UHFFFAOYSA-N
XLogP4.06
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10161450) is 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)CNC(=O)c1cn(-c2cccc(-c3ccc(C(C)(C)O)nc3)c2)c2ncccc2c1=O.
What is the InChIKey of 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZRVOQDQSNLZUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17(2)14-30-26(33)22-16-31(25-21(24(22)32)9-6-12-28-25)20-8-5-7-18(13-20)19-10-11-23(29-15-19)27(3,4)34/h5-13,15-17,34H,14H2,1-4H3,(H,30,33).
What are the key properties of 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10161450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).