(2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide

C19H16BrN5O — CID 171351839

IUPAC(2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C19H16BrN5O/c1-2-15(19(22)26)24-18-13-7-8-23-10-16(13)25-17(14(18)9-21)11-3-5-12(20)6-4-11/h3-8,10,15H,2H2,1H3,(H2,22,26)(H,24,25)/t15-/m1/s1
InChIKeyTUIQFWXPCKXSPO-OAHLLOKOSA-N
MW410.28 g/mol
LogP3.61
Rot. Bonds5

About (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide

(2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide (PubChem CID 171351839) has the molecular formula C19H16BrN5O and a molecular weight of 410.28 g/mol. Its IUPAC name is (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
PubChem CID171351839
Molecular FormulaC19H16BrN5O
Molecular Weight410.28 g/mol
Exact Mass409.05
IUPAC Name(2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C19H16BrN5O/c1-2-15(19(22)26)24-18-13-7-8-23-10-16(13)25-17(14(18)9-21)11-3-5-12(20)6-4-11/h3-8,10,15H,2H2,1H3,(H2,22,26)(H,24,25)/t15-/m1/s1
InChIKeyTUIQFWXPCKXSPO-OAHLLOKOSA-N
XLogP3.61
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide (CID 171351839) is (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide is CC[C@@H](Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O.
What is the InChIKey of (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide?
The InChIKey is TUIQFWXPCKXSPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16BrN5O/c1-2-15(19(22)26)24-18-13-7-8-23-10-16(13)25-17(14(18)9-21)11-3-5-12(20)6-4-11/h3-8,10,15H,2H2,1H3,(H2,22,26)(H,24,25)/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide?
(2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide has a molecular weight of 410.28 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide is sourced from PubChem (CID 171351839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).