N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

C21H24N6O2 — CID 147804537

IUPACN-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N[C@H](C)CCNc2ccc(C=O)c(C)n2)c1
InChIInChI=1S/C21H24N6O2/c1-14-4-6-19(27-23-10-11-24-27)18(12-14)21(29)25-15(2)8-9-22-20-7-5-17(13-28)16(3)26-20/h4-7,10-13,15H,8-9H2,1-3H3,(H,22,26)(H,25,29)/t15-/m1/s1
InChIKeyHMDTYYAADAZLSN-OAHLLOKOSA-N
MW392.46 g/mol
LogP2.71
Rot. Bonds8

About N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 147804537) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID147804537
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N[C@H](C)CCNc2ccc(C=O)c(C)n2)c1
InChIInChI=1S/C21H24N6O2/c1-14-4-6-19(27-23-10-11-24-27)18(12-14)21(29)25-15(2)8-9-22-20-7-5-17(13-28)16(3)26-20/h4-7,10-13,15H,8-9H2,1-3H3,(H,22,26)(H,25,29)/t15-/m1/s1
InChIKeyHMDTYYAADAZLSN-OAHLLOKOSA-N
XLogP2.71
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 147804537) is N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)N[C@H](C)CCNc2ccc(C=O)c(C)n2)c1.
What is the InChIKey of N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is HMDTYYAADAZLSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-4-6-19(27-23-10-11-24-27)18(12-14)21(29)25-15(2)8-9-22-20-7-5-17(13-28)16(3)26-20/h4-7,10-13,15H,8-9H2,1-3H3,(H,22,26)(H,25,29)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 147804537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).