(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide

C38H46N6O4 — CID 157233301

IUPAC(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)O[C@@H](C)c1cnccc1-2.CC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)O[C@H](C)c1cnccc1-2
InChIInChI=1S/2C19H23N3O2/c2*1-11(2)8-17(20)19(23)22-13-4-5-15-14-6-7-21-10-16(14)12(3)24-18(15)9-13/h2*4-7,9-12,17H,8,20H2,1-3H3,(H,22,23)/t12-,17+;12-,17-/m01/s1
InChIKeyAUISMALZBYZGQK-ILGVECDNSA-N
MW650.82 g/mol
LogP7.03
Rot. Bonds8

About (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide

(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide (PubChem CID 157233301) has the molecular formula C38H46N6O4 and a molecular weight of 650.82 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide
PubChem CID157233301
Molecular FormulaC38H46N6O4
Molecular Weight650.82 g/mol
Exact Mass650.36
IUPAC Name(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)O[C@@H](C)c1cnccc1-2.CC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)O[C@H](C)c1cnccc1-2
InChIInChI=1S/2C19H23N3O2/c2*1-11(2)8-17(20)19(23)22-13-4-5-15-14-6-7-21-10-16(14)12(3)24-18(15)9-13/h2*4-7,9-12,17H,8,20H2,1-3H3,(H,22,23)/t12-,17+;12-,17-/m01/s1
InChIKeyAUISMALZBYZGQK-ILGVECDNSA-N
XLogP7.03
TPSA154.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.82
LogP ≤ 57.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-methyl-N-(5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)pentanamide
CID 90357036
(2S)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2S)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;4-bromo-2-but-3-yn-2-yloxybenzaldehyde
CID 159618628
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
CID 61155842
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
CID 107588618
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide (CID 157233301) is (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)O[C@@H](C)c1cnccc1-2.CC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)O[C@H](C)c1cnccc1-2.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide?
The InChIKey is AUISMALZBYZGQK-ILGVECDNSA-N. The full InChI is InChI=1S/2C19H23N3O2/c2*1-11(2)8-17(20)19(23)22-13-4-5-15-14-6-7-21-10-16(14)12(3)24-18(15)9-13/h2*4-7,9-12,17H,8,20H2,1-3H3,(H,22,23)/t12-,17+;12-,17-/m01/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide?
(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide has a molecular weight of 650.82 g/mol, XLogP of 7.03, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide is sourced from PubChem (CID 157233301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).