(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

C19H19N5O2 — CID 95290092

IUPAC(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)N2CCCc3ncccc32)=NN1c1ccccc1
InChIInChI=1S/C19H19N5O2/c20-18(25)17-12-15(22-24(17)13-6-2-1-3-7-13)19(26)23-11-5-8-14-16(23)9-4-10-21-14/h1-4,6-7,9-10,17H,5,8,11-12H2,(H2,20,25)/t17-/m0/s1
InChIKeyJPLHMAQIQKCXBF-KRWDZBQOSA-N
MW349.39 g/mol
LogP1.48
Rot. Bonds3

About (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (PubChem CID 95290092) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
PubChem CID95290092
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)N2CCCc3ncccc32)=NN1c1ccccc1
InChIInChI=1S/C19H19N5O2/c20-18(25)17-12-15(22-24(17)13-6-2-1-3-7-13)19(26)23-11-5-8-14-16(23)9-4-10-21-14/h1-4,6-7,9-10,17H,5,8,11-12H2,(H2,20,25)/t17-/m0/s1
InChIKeyJPLHMAQIQKCXBF-KRWDZBQOSA-N
XLogP1.48
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (CID 95290092) is (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is NC(=O)[C@@H]1CC(C(=O)N2CCCc3ncccc32)=NN1c1ccccc1.
What is the InChIKey of (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is JPLHMAQIQKCXBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-18(25)17-12-15(22-24(17)13-6-2-1-3-7-13)19(26)23-11-5-8-14-16(23)9-4-10-21-14/h1-4,6-7,9-10,17H,5,8,11-12H2,(H2,20,25)/t17-/m0/s1.
What are the key properties of (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 95290092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).