6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide

C21H24N6O2 — CID 172671309

IUPAC6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(N(C)C)nc3)c2)cn1
InChIInChI=1S/C21H24N6O2/c1-5-27-13-17(12-23-27)24-20(28)15-7-6-14(2)18(10-15)25-21(29)16-8-9-19(22-11-16)26(3)4/h6-13H,5H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyNMCOWYOCMOBOHP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.18
Rot. Bonds6

About 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 172671309) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID172671309
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(N(C)C)nc3)c2)cn1
InChIInChI=1S/C21H24N6O2/c1-5-27-13-17(12-23-27)24-20(28)15-7-6-14(2)18(10-15)25-21(29)16-8-9-19(22-11-16)26(3)4/h6-13H,5H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyNMCOWYOCMOBOHP-UHFFFAOYSA-N
XLogP3.18
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide (CID 172671309) is 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide is CCn1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(N(C)C)nc3)c2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is NMCOWYOCMOBOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-5-27-13-17(12-23-27)24-20(28)15-7-6-14(2)18(10-15)25-21(29)16-8-9-19(22-11-16)26(3)4/h6-13H,5H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 172671309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).