N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide

C18H23N3O — CID 113024277

IUPACN-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2ccccc2C)nc1
InChIInChI=1S/C18H23N3O/c1-4-14(3)20-16-9-10-17(19-12-16)21-18(22)11-15-8-6-5-7-13(15)2/h5-10,12,14,20H,4,11H2,1-3H3,(H,19,21,22)
InChIKeyZTWZDCUDLJIPSN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.78
Rot. Bonds6

About N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide

N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113024277) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113024277
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2ccccc2C)nc1
InChIInChI=1S/C18H23N3O/c1-4-14(3)20-16-9-10-17(19-12-16)21-18(22)11-15-8-6-5-7-13(15)2/h5-10,12,14,20H,4,11H2,1-3H3,(H,19,21,22)
InChIKeyZTWZDCUDLJIPSN-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-[5-(cyclopropylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023745
2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024286
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449

Frequently Asked Questions

What is the IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113024277) is N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide is CCC(C)Nc1ccc(NC(=O)Cc2ccccc2C)nc1.
What is the InChIKey of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is ZTWZDCUDLJIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14(3)20-16-9-10-17(19-12-16)21-18(22)11-15-8-6-5-7-13(15)2/h5-10,12,14,20H,4,11H2,1-3H3,(H,19,21,22).
What are the key properties of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113024277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).