N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide

C14H21N3O — CID 109202347

IUPACN-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)N(C)CCCC)c1
InChIInChI=1S/C14H21N3O/c1-4-6-10-17(3)14(18)13-11-12(7-9-16-13)15-8-5-2/h5,7,9,11H,2,4,6,8,10H2,1,3H3,(H,15,16)
InChIKeyFMRRJEJLMWEPLQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.55
Rot. Bonds7

About N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide

N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109202347) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109202347
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)N(C)CCCC)c1
InChIInChI=1S/C14H21N3O/c1-4-6-10-17(3)14(18)13-11-12(7-9-16-13)15-8-5-2/h5,7,9,11H,2,4,6,8,10H2,1,3H3,(H,15,16)
InChIKeyFMRRJEJLMWEPLQ-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202346
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
CID 109217787
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090083
4-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180747

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide (CID 109202347) is N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccnc(C(=O)N(C)CCCC)c1.
What is the InChIKey of N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is FMRRJEJLMWEPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-6-10-17(3)14(18)13-11-12(7-9-16-13)15-8-5-2/h5,7,9,11H,2,4,6,8,10H2,1,3H3,(H,15,16).
What are the key properties of N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).