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

C16H26N4O — CID 70770851

IUPAC(2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1c(C)ncc2c1CCNC2
InChIInChI=1S/C16H26N4O/c1-4-10(2)15(17)16(21)20-9-14-11(3)19-8-12-7-18-6-5-13(12)14/h8,10,15,18H,4-7,9,17H2,1-3H3,(H,20,21)/t10-,15-/m0/s1
InChIKeyFPUXTZFOFKBLRP-BONVTDFDSA-N
MW290.41 g/mol
LogP1.03
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide (PubChem CID 70770851) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide
PubChem CID70770851
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1c(C)ncc2c1CCNC2
InChIInChI=1S/C16H26N4O/c1-4-10(2)15(17)16(21)20-9-14-11(3)19-8-12-7-18-6-5-13(12)14/h8,10,15,18H,4-7,9,17H2,1-3H3,(H,20,21)/t10-,15-/m0/s1
InChIKeyFPUXTZFOFKBLRP-BONVTDFDSA-N
XLogP1.03
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide (CID 70770851) is (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NCc1c(C)ncc2c1CCNC2.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide?
The InChIKey is FPUXTZFOFKBLRP-BONVTDFDSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-10(2)15(17)16(21)20-9-14-11(3)19-8-12-7-18-6-5-13(12)14/h8,10,15,18H,4-7,9,17H2,1-3H3,(H,20,21)/t10-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide has a molecular weight of 290.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide is sourced from PubChem (CID 70770851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).