6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide

C18H26N4O2 — CID 95629528

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC[C@H](O)CC(C)(C)C)cn2)n1
InChIInChI=1S/C18H26N4O2/c1-12-8-13(2)22(21-12)16-7-6-14(10-19-16)17(24)20-11-15(23)9-18(3,4)5/h6-8,10,15,23H,9,11H2,1-5H3,(H,20,24)/t15-/m1/s1
InChIKeyQEPZRVKPERNWNY-OAHLLOKOSA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide (PubChem CID 95629528) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
PubChem CID95629528
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC[C@H](O)CC(C)(C)C)cn2)n1
InChIInChI=1S/C18H26N4O2/c1-12-8-13(2)22(21-12)16-7-6-14(10-19-16)17(24)20-11-15(23)9-18(3,4)5/h6-8,10,15,23H,9,11H2,1-5H3,(H,20,24)/t15-/m1/s1
InChIKeyQEPZRVKPERNWNY-OAHLLOKOSA-N
XLogP2.41
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
tert-butyl N-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956679
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
6-(3,5-dimethylpyrazol-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 166281433
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid
CID 120532455
6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513330
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533619
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704026

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide (CID 95629528) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](O)CC(C)(C)C)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide?
The InChIKey is QEPZRVKPERNWNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-8-13(2)22(21-12)16-7-6-14(10-19-16)17(24)20-11-15(23)9-18(3,4)5/h6-8,10,15,23H,9,11H2,1-5H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide is sourced from PubChem (CID 95629528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).