3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide

C14H19N5O — CID 114536613

IUPAC3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ncccc2N)n1
InChIInChI=1S/C14H19N5O/c1-10-9-11(2)19(18-10)8-4-7-17-14(20)13-12(15)5-3-6-16-13/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,17,20)
InChIKeyKXYFPOFCPCMDMC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide

3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 114536613) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
PubChem CID114536613
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ncccc2N)n1
InChIInChI=1S/C14H19N5O/c1-10-9-11(2)19(18-10)8-4-7-17-14(20)13-12(15)5-3-6-16-13/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,17,20)
InChIKeyKXYFPOFCPCMDMC-UHFFFAOYSA-N
XLogP1.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536102
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038910
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide (CID 114536613) is 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ncccc2N)n1.
What is the InChIKey of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is KXYFPOFCPCMDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-9-11(2)19(18-10)8-4-7-17-14(20)13-12(15)5-3-6-16-13/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide?
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 114536613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).