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

C26H24N4O3 — CID 10114164

IUPACN-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1cccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)n1
InChIInChI=1S/C26H24N4O3/c1-26(2,33)22-10-4-9-21(29-22)16-6-3-7-18(14-16)30-15-20(25(32)28-17-11-12-17)23(31)19-8-5-13-27-24(19)30/h3-10,13-15,17,33H,11-12H2,1-2H3,(H,28,32)
InChIKeyZPARBNSMTJXQQC-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.57
Rot. Bonds5

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

N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10114164) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10114164
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1cccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)n1
InChIInChI=1S/C26H24N4O3/c1-26(2,33)22-10-4-9-21(29-22)16-6-3-7-18(14-16)30-15-20(25(32)28-17-11-12-17)23(31)19-8-5-13-27-24(19)30/h3-10,13-15,17,33H,11-12H2,1-2H3,(H,28,32)
InChIKeyZPARBNSMTJXQQC-UHFFFAOYSA-N
XLogP3.57
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10114164) is N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1cccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)n1.
What is the InChIKey of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZPARBNSMTJXQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-26(2,33)22-10-4-9-21(29-22)16-6-3-7-18(14-16)30-15-20(25(32)28-17-11-12-17)23(31)19-8-5-13-27-24(19)30/h3-10,13-15,17,33H,11-12H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10114164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).