N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide

C13H17N3O — CID 115268661

IUPACN-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(NC2CC2)nc1
InChIInChI=1S/C13H17N3O/c1-16(13(17)9-2-3-9)11-6-7-12(14-8-11)15-10-4-5-10/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyCGJMLMWCBYQRAD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.03
Rot. Bonds4

About N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide

N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide (PubChem CID 115268661) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
PubChem CID115268661
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(NC2CC2)nc1
InChIInChI=1S/C13H17N3O/c1-16(13(17)9-2-3-9)11-6-7-12(14-8-11)15-10-4-5-10/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyCGJMLMWCBYQRAD-UHFFFAOYSA-N
XLogP2.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 115268669
6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide
CID 166293579
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
5-N,5-N-dimethyl-2-N-(3-methylcyclopentyl)pyridine-2,5-diamine
CID 115735855
4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide
CID 60622821
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
CID 75418464
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide
CID 115150649
6-(cyclopropylamino)-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84570944
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide (CID 115268661) is N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1ccc(NC2CC2)nc1.
What is the InChIKey of N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide?
The InChIKey is CGJMLMWCBYQRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(13(17)9-2-3-9)11-6-7-12(14-8-11)15-10-4-5-10/h6-10H,2-5H2,1H3,(H,14,15).
What are the key properties of N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide?
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 115268661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).