N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide

C18H23N3O — CID 113009468

IUPACN-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C18H23N3O/c1-4-5-10-19-17-9-8-16(12-20-17)21-18(22)15-7-6-13(2)14(3)11-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVHVVRVQEWVLEKF-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.16
Rot. Bonds6

About N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide

N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide (PubChem CID 113009468) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
PubChem CID113009468
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C18H23N3O/c1-4-5-10-19-17-9-8-16(12-20-17)21-18(22)15-7-6-13(2)14(3)11-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVHVVRVQEWVLEKF-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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
3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
CID 113013026
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide (CID 113009468) is N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide is CCCCNc1ccc(NC(=O)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide?
The InChIKey is VHVVRVQEWVLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-5-10-19-17-9-8-16(12-20-17)21-18(22)15-7-6-13(2)14(3)11-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide?
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113009468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).