N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide

C13H21N3O — CID 43136568

IUPACN-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide
SMILESCCCN(CCCN)C(=O)c1cccc(C)n1
InChIInChI=1S/C13H21N3O/c1-3-9-16(10-5-8-14)13(17)12-7-4-6-11(2)15-12/h4,6-7H,3,5,8-10,14H2,1-2H3
InChIKeySMHGPKNLPIBMPD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds6

About N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide

N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide (PubChem CID 43136568) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide
PubChem CID43136568
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide
SMILESCCCN(CCCN)C(=O)c1cccc(C)n1
InChIInChI=1S/C13H21N3O/c1-3-9-16(10-5-8-14)13(17)12-7-4-6-11(2)15-12/h4,6-7H,3,5,8-10,14H2,1-2H3
InChIKeySMHGPKNLPIBMPD-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)pyridine-2,6-dicarboxamide
CID 67393235
N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
CID 63390828
N-(2-aminoethyl)-N,6-dimethylpyridine-2-carboxamide
CID 61348528
6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N-[2-(dimethylamino)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 110483041
N-(1-aminopropan-2-yl)-N,6-dimethylpyridine-2-carboxamide
CID 82507394
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide (CID 43136568) is N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide is CCCN(CCCN)C(=O)c1cccc(C)n1.
What is the InChIKey of N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide?
The InChIKey is SMHGPKNLPIBMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-9-16(10-5-8-14)13(17)12-7-4-6-11(2)15-12/h4,6-7H,3,5,8-10,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide?
N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 43136568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).