5-(butylamino)-N,N-dipropylpyridine-3-carboxamide

C16H27N3O — CID 109224616

IUPAC5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C16H27N3O/c1-4-7-8-18-15-11-14(12-17-13-15)16(20)19(9-5-2)10-6-3/h11-13,18H,4-10H2,1-3H3
InChIKeyDFGSYHAKXAJJNA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.56
Rot. Bonds9

About 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide

5-(butylamino)-N,N-dipropylpyridine-3-carboxamide (PubChem CID 109224616) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
PubChem CID109224616
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C16H27N3O/c1-4-7-8-18-15-11-14(12-17-13-15)16(20)19(9-5-2)10-6-3/h11-13,18H,4-10H2,1-3H3
InChIKeyDFGSYHAKXAJJNA-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.56
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

5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
5-(4-methylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240921
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944
5-[2-(1H-indol-3-yl)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109237691
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109103626
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240973
5-(tert-butylamino)-N,N-diethylpyridine-3-carboxamide
CID 109238760

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide (CID 109224616) is 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide is CCCCNc1cncc(C(=O)N(CCC)CCC)c1.
What is the InChIKey of 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide?
The InChIKey is DFGSYHAKXAJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-7-8-18-15-11-14(12-17-13-15)16(20)19(9-5-2)10-6-3/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide?
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N,N-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 109224616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).