N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C17H22N4O — CID 109213415

IUPACN-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C17H22N4O/c1-2-3-4-8-20-17(22)16-12-15(7-11-19-16)21-13-14-5-9-18-10-6-14/h5-7,9-12H,2-4,8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyORKGRUFFIXBGMC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds8

About N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213415) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213415
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C17H22N4O/c1-2-3-4-8-20-17(22)16-12-15(7-11-19-16)21-13-14-5-9-18-10-6-14/h5-7,9-12H,2-4,8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyORKGRUFFIXBGMC-UHFFFAOYSA-N
XLogP3.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202346
N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213420
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109213415) is N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is CCCCCNC(=O)c1cc(NCc2ccncc2)ccn1.
What is the InChIKey of N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is ORKGRUFFIXBGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-4-8-20-17(22)16-12-15(7-11-19-16)21-13-14-5-9-18-10-6-14/h5-7,9-12H,2-4,8,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).