N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide

C14H21N3O — CID 109202346

IUPACN-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)NCCCCC)c1
InChIInChI=1S/C14H21N3O/c1-3-5-6-9-17-14(18)13-11-12(7-10-16-13)15-8-4-2/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyMVJVLWHJZFQNLO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds8

About N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide

N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109202346) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109202346
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)NCCCCC)c1
InChIInChI=1S/C14H21N3O/c1-3-5-6-9-17-14(18)13-11-12(7-10-16-13)15-8-4-2/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyMVJVLWHJZFQNLO-UHFFFAOYSA-N
XLogP2.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213415
N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202307
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide (CID 109202346) is N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccnc(C(=O)NCCCCC)c1.
What is the InChIKey of N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is MVJVLWHJZFQNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-5-6-9-17-14(18)13-11-12(7-10-16-13)15-8-4-2/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide?
N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).