2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide

C22H25FN4O2 — CID 70336501

IUPAC2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide
SMILESN[C@@H](CC(=O)N1Cc2cnccc2CC1C(=O)NC1CC1)Cc1ccccc1F
InChIInChI=1S/C22H25FN4O2/c23-19-4-2-1-3-15(19)9-17(24)11-21(28)27-13-16-12-25-8-7-14(16)10-20(27)22(29)26-18-5-6-18/h1-4,7-8,12,17-18,20H,5-6,9-11,13,24H2,(H,26,29)/t17-,20?/m1/s1
InChIKeyCSGPTXNDNZQPBQ-DIAVIDTQSA-N
MW396.47 g/mol
LogP1.71
Rot. Bonds6

About 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide

2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide (PubChem CID 70336501) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide
PubChem CID70336501
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide
SMILESN[C@@H](CC(=O)N1Cc2cnccc2CC1C(=O)NC1CC1)Cc1ccccc1F
InChIInChI=1S/C22H25FN4O2/c23-19-4-2-1-3-15(19)9-17(24)11-21(28)27-13-16-12-25-8-7-14(16)10-20(27)22(29)26-18-5-6-18/h1-4,7-8,12,17-18,20H,5-6,9-11,13,24H2,(H,26,29)/t17-,20?/m1/s1
InChIKeyCSGPTXNDNZQPBQ-DIAVIDTQSA-N
XLogP1.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide (CID 70336501) is 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide is N[C@@H](CC(=O)N1Cc2cnccc2CC1C(=O)NC1CC1)Cc1ccccc1F.
What is the InChIKey of 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide?
The InChIKey is CSGPTXNDNZQPBQ-DIAVIDTQSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-19-4-2-1-3-15(19)9-17(24)11-21(28)27-13-16-12-25-8-7-14(16)10-20(27)22(29)26-18-5-6-18/h1-4,7-8,12,17-18,20H,5-6,9-11,13,24H2,(H,26,29)/t17-,20?/m1/s1.
What are the key properties of 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide?
2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 70336501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).