(3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide

C22H25FN4O2 — CID 11654122

IUPAC(3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(CC2CC2)C1=O)Cc1ccccc1F
InChIInChI=1S/C22H25FN4O2/c23-18-6-2-1-4-15(18)10-17(24)12-20(28)26-19-11-16-5-3-9-25-21(16)27(22(19)29)13-14-7-8-14/h1-6,9,14,17,19H,7-8,10-13,24H2,(H,26,28)/t17-,19?/m1/s1
InChIKeyHOWZWTVJCVFIBH-DUSLRRAJSA-N
MW396.47 g/mol
LogP1.96
Rot. Bonds7

About (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide (PubChem CID 11654122) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
PubChem CID11654122
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name(3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(CC2CC2)C1=O)Cc1ccccc1F
InChIInChI=1S/C22H25FN4O2/c23-18-6-2-1-4-15(18)10-17(24)12-20(28)26-19-11-16-5-3-9-25-21(16)27(22(19)29)13-14-7-8-14/h1-6,9,14,17,19H,7-8,10-13,24H2,(H,26,28)/t17-,19?/m1/s1
InChIKeyHOWZWTVJCVFIBH-DUSLRRAJSA-N
XLogP1.96
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide (CID 11654122) is (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide is N[C@@H](CC(=O)NC1Cc2cccnc2N(CC2CC2)C1=O)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The InChIKey is HOWZWTVJCVFIBH-DUSLRRAJSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-18-6-2-1-4-15(18)10-17(24)12-20(28)26-19-11-16-5-3-9-25-21(16)27(22(19)29)13-14-7-8-14/h1-6,9,14,17,19H,7-8,10-13,24H2,(H,26,28)/t17-,19?/m1/s1.
What are the key properties of (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide has a molecular weight of 396.47 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 11654122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).