N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C31H27N5O3 — CID 10118701

IUPACN-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cncc(-c3cccc(-n4cc(C(=O)NC5CC5)c(=O)c5cccnc54)c3)c2)cn1
InChIInChI=1S/C31H27N5O3/c1-31(2,39)27-11-8-20(17-34-27)22-13-21(15-32-16-22)19-5-3-6-24(14-19)36-18-26(30(38)35-23-9-10-23)28(37)25-7-4-12-33-29(25)36/h3-8,11-18,23,39H,9-10H2,1-2H3,(H,35,38)
InChIKeyGTSITYBTHZVZCW-UHFFFAOYSA-N
MW517.59 g/mol
LogP4.63
Rot. Bonds6

About N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10118701) has the molecular formula C31H27N5O3 and a molecular weight of 517.59 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10118701
Molecular FormulaC31H27N5O3
Molecular Weight517.59 g/mol
Exact Mass517.21
IUPAC NameN-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cncc(-c3cccc(-n4cc(C(=O)NC5CC5)c(=O)c5cccnc54)c3)c2)cn1
InChIInChI=1S/C31H27N5O3/c1-31(2,39)27-11-8-20(17-34-27)22-13-21(15-32-16-22)19-5-3-6-24(14-19)36-18-26(30(38)35-23-9-10-23)28(37)25-7-4-12-33-29(25)36/h3-8,11-18,23,39H,9-10H2,1-2H3,(H,35,38)
InChIKeyGTSITYBTHZVZCW-UHFFFAOYSA-N
XLogP4.63
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10118701) is N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1ccc(-c2cncc(-c3cccc(-n4cc(C(=O)NC5CC5)c(=O)c5cccnc54)c3)c2)cn1.
What is the InChIKey of N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GTSITYBTHZVZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O3/c1-31(2,39)27-11-8-20(17-34-27)22-13-21(15-32-16-22)19-5-3-6-24(14-19)36-18-26(30(38)35-23-9-10-23)28(37)25-7-4-12-33-29(25)36/h3-8,11-18,23,39H,9-10H2,1-2H3,(H,35,38).
What are the key properties of N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10118701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).