2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide

C13H21N3O — CID 113277709

IUPAC2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O/c1-3-7-16(8-4-2)13(17)11-5-6-15-12(9-11)10-14/h5-6,9H,3-4,7-8,10,14H2,1-2H3
InChIKeyNRAOVTFYORYEKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds6

About 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide

2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide (PubChem CID 113277709) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
PubChem CID113277709
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O/c1-3-7-16(8-4-2)13(17)11-5-6-15-12(9-11)10-14/h5-6,9H,3-4,7-8,10,14H2,1-2H3
InChIKeyNRAOVTFYORYEKC-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
4-[[2-(aminomethyl)pyridine-4-carbonyl]-methylamino]benzoic acid
CID 104698663
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide (CID 113277709) is 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is NRAOVTFYORYEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-7-16(8-4-2)13(17)11-5-6-15-12(9-11)10-14/h5-6,9H,3-4,7-8,10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide?
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 113277709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).