(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile

C12H12N4O — CID 170631767

IUPAC(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
SMILESCN[C@@H](C#N)Cc1cc2cnccc2[nH]c1=O
InChIInChI=1S/C12H12N4O/c1-14-10(6-13)5-8-4-9-7-15-3-2-11(9)16-12(8)17/h2-4,7,10,14H,5H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyPYGBKUPLUKAUDM-SNVBAGLBSA-N
MW228.25 g/mol
LogP0.58
Rot. Bonds3

About (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile

(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile (PubChem CID 170631767) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
PubChem CID170631767
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
SMILESCN[C@@H](C#N)Cc1cc2cnccc2[nH]c1=O
InChIInChI=1S/C12H12N4O/c1-14-10(6-13)5-8-4-9-7-15-3-2-11(9)16-12(8)17/h2-4,7,10,14H,5H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyPYGBKUPLUKAUDM-SNVBAGLBSA-N
XLogP0.58
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one
CID 170631820
N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide
CID 170632306
3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
CID 166457819
3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one
CID 166457978
3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one
CID 166457892
3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one
CID 4101451
2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile
CID 170631752
(2S)-2-cyano-N-(2,6-dimethylphenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 1140255
(2R)-2-cyano-N-(2,6-dimethylphenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 1140253
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271
(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 1140234
(1R,2S,5S)-N-[(2S)-1-amino-1-oxo-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propan-2-yl]-3-[(2S)-2-(methanesulfonamido)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170632048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile?
The IUPAC name of (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile (CID 170631767) is (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile.
What is the SMILES notation for (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile?
The canonical SMILES for (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile is CN[C@@H](C#N)Cc1cc2cnccc2[nH]c1=O.
What is the InChIKey of (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile?
The InChIKey is PYGBKUPLUKAUDM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12N4O/c1-14-10(6-13)5-8-4-9-7-15-3-2-11(9)16-12(8)17/h2-4,7,10,14H,5H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile?
(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile has a molecular weight of 228.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile is sourced from PubChem (CID 170631767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).