N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide

C21H29N3O — CID 109161120

IUPACN-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C21H29N3O/c1-4-5-9-14-22-20-13-12-19(15-23-20)21(25)24(17(2)3)16-18-10-7-6-8-11-18/h6-8,10-13,15,17H,4-5,9,14,16H2,1-3H3,(H,22,23)
InChIKeySJISJKZNJPXNFG-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.73
Rot. Bonds9

About N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109161120) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109161120
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C21H29N3O/c1-4-5-9-14-22-20-13-12-19(15-23-20)21(25)24(17(2)3)16-18-10-7-6-8-11-18/h6-8,10-13,15,17H,4-5,9,14,16H2,1-3H3,(H,22,23)
InChIKeySJISJKZNJPXNFG-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109155319
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280
N-(3-hydroxypropyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62177310
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
N-benzyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109161151
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
N-(cyclopropylmethyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62178134

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 109161120) is N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide is CCCCCNc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is SJISJKZNJPXNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-5-9-14-22-20-13-12-19(15-23-20)21(25)24(17(2)3)16-18-10-7-6-8-11-18/h6-8,10-13,15,17H,4-5,9,14,16H2,1-3H3,(H,22,23).
What are the key properties of N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109161120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).