N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C17H22N4O — CID 109191345

IUPACN-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-4-10-19-17(22)16-8-7-15(13-21-16)20-12-14-6-5-9-18-11-14/h5-9,11,13,20H,2-4,10,12H2,1H3,(H,19,22)
InChIKeyUITPRJHCRAIMRY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds8

About N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191345) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191345
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-4-10-19-17(22)16-8-7-15(13-21-16)20-12-14-6-5-9-18-11-14/h5-9,11,13,20H,2-4,10,12H2,1H3,(H,19,22)
InChIKeyUITPRJHCRAIMRY-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-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191325
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109191345) is N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is CCCCCNC(=O)c1ccc(NCc2cccnc2)cn1.
What is the InChIKey of N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is UITPRJHCRAIMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-4-10-19-17(22)16-8-7-15(13-21-16)20-12-14-6-5-9-18-11-14/h5-9,11,13,20H,2-4,10,12H2,1H3,(H,19,22).
What are the key properties of N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-pentyl-5-(pyridin-3-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-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).