(2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide

C20H24N4O3 — CID 90357981

IUPAC(2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide
SMILESCC(=O)Nc1cc2c(cn1)COc1cc(NC(=O)[C@@H](N)CC(C)C)ccc1-2
InChIInChI=1S/C20H24N4O3/c1-11(2)6-17(21)20(26)24-14-4-5-15-16-8-19(23-12(3)25)22-9-13(16)10-27-18(15)7-14/h4-5,7-9,11,17H,6,10,21H2,1-3H3,(H,24,26)(H,22,23,25)/t17-/m0/s1
InChIKeyKVDUHWSZXLTNNL-KRWDZBQOSA-N
MW368.44 g/mol
LogP2.91
Rot. Bonds5

About (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide

(2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide (PubChem CID 90357981) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide
PubChem CID90357981
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide
SMILESCC(=O)Nc1cc2c(cn1)COc1cc(NC(=O)[C@@H](N)CC(C)C)ccc1-2
InChIInChI=1S/C20H24N4O3/c1-11(2)6-17(21)20(26)24-14-4-5-15-16-8-19(23-12(3)25)22-9-13(16)10-27-18(15)7-14/h4-5,7-9,11,17H,6,10,21H2,1-3H3,(H,24,26)(H,22,23,25)/t17-/m0/s1
InChIKeyKVDUHWSZXLTNNL-KRWDZBQOSA-N
XLogP2.91
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide?
The IUPAC name of (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide (CID 90357981) is (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide.
What is the SMILES notation for (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide?
The canonical SMILES for (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide is CC(=O)Nc1cc2c(cn1)COc1cc(NC(=O)[C@@H](N)CC(C)C)ccc1-2.
What is the InChIKey of (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide?
The InChIKey is KVDUHWSZXLTNNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-11(2)6-17(21)20(26)24-14-4-5-15-16-8-19(23-12(3)25)22-9-13(16)10-27-18(15)7-14/h4-5,7-9,11,17H,6,10,21H2,1-3H3,(H,24,26)(H,22,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide?
(2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide has a molecular weight of 368.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide is sourced from PubChem (CID 90357981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).