(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide

C14H22N4O2 — CID 56893649

IUPAC(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide
SMILESCc1ncc2c(c1CNC(=O)[C@@H](N)[C@@H](C)O)CCNC2
InChIInChI=1S/C14H22N4O2/c1-8-12(7-18-14(20)13(15)9(2)19)11-3-4-16-5-10(11)6-17-8/h6,9,13,16,19H,3-5,7,15H2,1-2H3,(H,18,20)/t9-,13+/m1/s1
InChIKeyXXIAEYZNCQXFNE-RNCFNFMXSA-N
MW278.36 g/mol
LogP-0.64
Rot. Bonds4

About (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide

(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide (PubChem CID 56893649) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide
PubChem CID56893649
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide
SMILESCc1ncc2c(c1CNC(=O)[C@@H](N)[C@@H](C)O)CCNC2
InChIInChI=1S/C14H22N4O2/c1-8-12(7-18-14(20)13(15)9(2)19)11-3-4-16-5-10(11)6-17-8/h6,9,13,16,19H,3-5,7,15H2,1-2H3,(H,18,20)/t9-,13+/m1/s1
InChIKeyXXIAEYZNCQXFNE-RNCFNFMXSA-N
XLogP-0.64
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide
CID 70770851
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
CID 118759038
3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 56914454
3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56904541
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56916353
2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide
CID 70738131
4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56883318
3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56886039
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 56881808
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694
2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 95880803

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide (CID 56893649) is (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide is Cc1ncc2c(c1CNC(=O)[C@@H](N)[C@@H](C)O)CCNC2.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide?
The InChIKey is XXIAEYZNCQXFNE-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8-12(7-18-14(20)13(15)9(2)19)11-3-4-16-5-10(11)6-17-8/h6,9,13,16,19H,3-5,7,15H2,1-2H3,(H,18,20)/t9-,13+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide?
(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide has a molecular weight of 278.36 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide is sourced from PubChem (CID 56893649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).