N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide

C13H17N5O — CID 120827316

IUPACN-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCNC(C)CNC(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C13H17N5O/c1-10(14-2)9-16-13(19)12-8-11(4-6-15-12)18-7-3-5-17-18/h3-8,10,14H,9H2,1-2H3,(H,16,19)
InChIKeyZVZXLOBVNPUJIE-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.61
Rot. Bonds5

About N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide

N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 120827316) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID120827316
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCNC(C)CNC(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C13H17N5O/c1-10(14-2)9-16-13(19)12-8-11(4-6-15-12)18-7-3-5-17-18/h3-8,10,14H,9H2,1-2H3,(H,16,19)
InChIKeyZVZXLOBVNPUJIE-UHFFFAOYSA-N
XLogP0.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide (CID 120827316) is N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide is CNC(C)CNC(=O)c1cc(-n2cccn2)ccn1.
What is the InChIKey of N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is ZVZXLOBVNPUJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(14-2)9-16-13(19)12-8-11(4-6-15-12)18-7-3-5-17-18/h3-8,10,14H,9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 120827316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).