2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide

C14H19N5O2 — CID 118312253

IUPAC2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)C1C=CC=C(C(=O)NCc2cn[nH]c2)N1
InChIInChI=1S/C14H19N5O2/c1-9(2)18-14(21)12-5-3-4-11(19-12)13(20)15-6-10-7-16-17-8-10/h3-5,7-9,12,19H,6H2,1-2H3,(H,15,20)(H,16,17)(H,18,21)
InChIKeyIVHKFIXHFLMULW-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.04
Rot. Bonds5

About 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide

2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide (PubChem CID 118312253) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide
PubChem CID118312253
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)C1C=CC=C(C(=O)NCc2cn[nH]c2)N1
InChIInChI=1S/C14H19N5O2/c1-9(2)18-14(21)12-5-3-4-11(19-12)13(20)15-6-10-7-16-17-8-10/h3-5,7-9,12,19H,6H2,1-2H3,(H,15,20)(H,16,17)(H,18,21)
InChIKeyIVHKFIXHFLMULW-UHFFFAOYSA-N
XLogP-0.04
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide (CID 118312253) is 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide is CC(C)NC(=O)C1C=CC=C(C(=O)NCc2cn[nH]c2)N1.
What is the InChIKey of 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide?
The InChIKey is IVHKFIXHFLMULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(2)18-14(21)12-5-3-4-11(19-12)13(20)15-6-10-7-16-17-8-10/h3-5,7-9,12,19H,6H2,1-2H3,(H,15,20)(H,16,17)(H,18,21).
What are the key properties of 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide?
2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide has a molecular weight of 289.34 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide is sourced from PubChem (CID 118312253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).