3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid

C18H24N4O3 — CID 120532455

IUPAC3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C18H24N4O3/c1-5-18(6-2,10-16(23)24)20-17(25)14-7-8-15(19-11-14)22-13(4)9-12(3)21-22/h7-9,11H,5-6,10H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyNBDPOEPYNIOAGB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.65
Rot. Bonds7

About 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid

3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid (PubChem CID 120532455) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid.

Molecular Properties

Compound Name3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid
PubChem CID120532455
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C18H24N4O3/c1-5-18(6-2,10-16(23)24)20-17(25)14-7-8-15(19-11-14)22-13(4)9-12(3)21-22/h7-9,11H,5-6,10H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyNBDPOEPYNIOAGB-UHFFFAOYSA-N
XLogP2.65
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 166281433
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
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
CID 95629528
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
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
3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid
CID 120532576
N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 119611569
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-methylpyridine-3-carboxamide
CID 107867635

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid?
The IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid (CID 120532455) is 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid.
What is the SMILES notation for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid?
The canonical SMILES for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid is CCC(CC)(CC(=O)O)NC(=O)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid?
The InChIKey is NBDPOEPYNIOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-18(6-2,10-16(23)24)20-17(25)14-7-8-15(19-11-14)22-13(4)9-12(3)21-22/h7-9,11H,5-6,10H2,1-4H3,(H,20,25)(H,23,24).
What are the key properties of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid?
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid has a molecular weight of 344.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid is sourced from PubChem (CID 120532455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).