3-amino-N-pentylpyridine-4-carboxamide

C11H17N3O — CID 105067833

IUPAC3-amino-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccncc1N
InChIInChI=1S/C11H17N3O/c1-2-3-4-6-14-11(15)9-5-7-13-8-10(9)12/h5,7-8H,2-4,6,12H2,1H3,(H,14,15)
InChIKeyUOZNUOFDISOEGE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.58
Rot. Bonds5

About 3-amino-N-pentylpyridine-4-carboxamide

3-amino-N-pentylpyridine-4-carboxamide (PubChem CID 105067833) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-N-pentylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentylpyridine-4-carboxamide
PubChem CID105067833
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccncc1N
InChIInChI=1S/C11H17N3O/c1-2-3-4-6-14-11(15)9-5-7-13-8-10(9)12/h5,7-8H,2-4,6,12H2,1H3,(H,14,15)
InChIKeyUOZNUOFDISOEGE-UHFFFAOYSA-N
XLogP1.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
2-amino-N-dodecylbenzamide
CID 54099396
3-[4-(hexylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77134968
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
2,4-diamino-N-hexylbenzamide
CID 61111728
N-pentylpyridine-4-carboxamide
CID 2307296
5-amino-4-nitro-N-pentylpyridine-3-carboxamide
CID 67636473
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
N-hexylpyridine-4-carboxamide
CID 3423732
3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 105070428
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentylpyridine-4-carboxamide?
The IUPAC name of 3-amino-N-pentylpyridine-4-carboxamide (CID 105067833) is 3-amino-N-pentylpyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-pentylpyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-pentylpyridine-4-carboxamide is CCCCCNC(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-pentylpyridine-4-carboxamide?
The InChIKey is UOZNUOFDISOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-6-14-11(15)9-5-7-13-8-10(9)12/h5,7-8H,2-4,6,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-pentylpyridine-4-carboxamide?
3-amino-N-pentylpyridine-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentylpyridine-4-carboxamide is sourced from PubChem (CID 105067833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).