2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide

C14H19N5O — CID 50968548

IUPAC2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(NC)c1)c1ccnn1C
InChIInChI=1S/C14H19N5O/c1-4-11(12-6-8-17-19(12)3)18-14(20)10-5-7-16-13(9-10)15-2/h5-9,11H,4H2,1-3H3,(H,15,16)(H,18,20)
InChIKeyORPCUYBUUMFCOS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.74
Rot. Bonds5

About 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide

2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide (PubChem CID 50968548) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
PubChem CID50968548
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(NC)c1)c1ccnn1C
InChIInChI=1S/C14H19N5O/c1-4-11(12-6-8-17-19(12)3)18-14(20)10-5-7-16-13(9-10)15-2/h5-9,11H,4H2,1-3H3,(H,15,16)(H,18,20)
InChIKeyORPCUYBUUMFCOS-UHFFFAOYSA-N
XLogP1.74
TPSA71.84 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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 172665840
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 63011141
2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 55046580
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-oxo-1H-pyridine-2-carboxamide
CID 126436244
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide (CID 50968548) is 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide is CCC(NC(=O)c1ccnc(NC)c1)c1ccnn1C.
What is the InChIKey of 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide?
The InChIKey is ORPCUYBUUMFCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-11(12-6-8-17-19(12)3)18-14(20)10-5-7-16-13(9-10)15-2/h5-9,11H,4H2,1-3H3,(H,15,16)(H,18,20).
What are the key properties of 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide?
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 50968548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).