5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide

C13H21N3O — CID 113436082

IUPAC5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(NC)cn1)C(C)C
InChIInChI=1S/C13H21N3O/c1-5-8-16(10(2)3)13(17)12-7-6-11(14-4)9-15-12/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyJERNGGDRFRPIFZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds5

About 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide

5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide (PubChem CID 113436082) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
PubChem CID113436082
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(NC)cn1)C(C)C
InChIInChI=1S/C13H21N3O/c1-5-8-16(10(2)3)13(17)12-7-6-11(14-4)9-15-12/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyJERNGGDRFRPIFZ-UHFFFAOYSA-N
XLogP2.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640934
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
CID 104639781
5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104641279
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
N-(3,5-dimethylphenyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104640795
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 80666509
N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104639804
N-(1-cyclopropylethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 113436100
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide (CID 113436082) is 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ccc(NC)cn1)C(C)C.
What is the InChIKey of 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The InChIKey is JERNGGDRFRPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-8-16(10(2)3)13(17)12-7-6-11(14-4)9-15-12/h6-7,9-10,14H,5,8H2,1-4H3.
What are the key properties of 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide?
5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 113436082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).