N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide

C17H21N3O — CID 113023966

IUPACN-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
SMILESCCCCNc1ccc(NC(=O)c2cccc(C)c2)nc1
InChIInChI=1S/C17H21N3O/c1-3-4-10-18-15-8-9-16(19-12-15)20-17(21)14-7-5-6-13(2)11-14/h5-9,11-12,18H,3-4,10H2,1-2H3,(H,19,20,21)
InChIKeyCMIOYZAXBDSHLS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.85
Rot. Bonds6

About N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide

N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide (PubChem CID 113023966) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
PubChem CID113023966
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
SMILESCCCCNc1ccc(NC(=O)c2cccc(C)c2)nc1
InChIInChI=1S/C17H21N3O/c1-3-4-10-18-15-8-9-16(19-12-15)20-17(21)14-7-5-6-13(2)11-14/h5-9,11-12,18H,3-4,10H2,1-2H3,(H,19,20,21)
InChIKeyCMIOYZAXBDSHLS-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
ethyl 4-[[6-[(3-methylbenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113036371
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide (CID 113023966) is N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide is CCCCNc1ccc(NC(=O)c2cccc(C)c2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide?
The InChIKey is CMIOYZAXBDSHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-4-10-18-15-8-9-16(19-12-15)20-17(21)14-7-5-6-13(2)11-14/h5-9,11-12,18H,3-4,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide?
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 113023966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).