5-(cyclopropylamino)-N-propylpyridine-3-carboxamide

C12H17N3O — CID 109222760

IUPAC5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(NC2CC2)c1
InChIInChI=1S/C12H17N3O/c1-2-5-14-12(16)9-6-11(8-13-7-9)15-10-3-4-10/h6-8,10,15H,2-5H2,1H3,(H,14,16)
InChIKeyIDQSGRVBMFXOKC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.80
Rot. Bonds5

About 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide

5-(cyclopropylamino)-N-propylpyridine-3-carboxamide (PubChem CID 109222760) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
PubChem CID109222760
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(NC2CC2)c1
InChIInChI=1S/C12H17N3O/c1-2-5-14-12(16)9-6-11(8-13-7-9)15-10-3-4-10/h6-8,10,15H,2-5H2,1H3,(H,14,16)
InChIKeyIDQSGRVBMFXOKC-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
5-(cyclopropylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109223789
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109229132
ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109238248
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide (CID 109222760) is 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(NC2CC2)c1.
What is the InChIKey of 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide?
The InChIKey is IDQSGRVBMFXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-5-14-12(16)9-6-11(8-13-7-9)15-10-3-4-10/h6-8,10,15H,2-5H2,1H3,(H,14,16).
What are the key properties of 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide?
5-(cyclopropylamino)-N-propylpyridine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).