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

C14H18N4O — CID 122558961

IUPAC4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cnn(C(C)CNC(=O)c2cnccc2C)c1
InChIInChI=1S/C14H18N4O/c1-10-6-17-18(9-10)12(3)7-16-14(19)13-8-15-5-4-11(13)2/h4-6,8-9,12H,7H2,1-3H3,(H,16,19)
InChIKeyTZBLVNIPXVHHDG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.89
Rot. Bonds4

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

4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 122558961) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID122558961
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cnn(C(C)CNC(=O)c2cnccc2C)c1
InChIInChI=1S/C14H18N4O/c1-10-6-17-18(9-10)12(3)7-16-14(19)13-8-15-5-4-11(13)2/h4-6,8-9,12H,7H2,1-3H3,(H,16,19)
InChIKeyTZBLVNIPXVHHDG-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide (CID 122558961) is 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide is Cc1cnn(C(C)CNC(=O)c2cnccc2C)c1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is TZBLVNIPXVHHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-6-17-18(9-10)12(3)7-16-14(19)13-8-15-5-4-11(13)2/h4-6,8-9,12H,7H2,1-3H3,(H,16,19).
What are the key properties of 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 122558961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).