[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid

C20H22N6O3 — CID 23143602

IUPAC[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid
SMILESCCCNC(=O)c1cc(-c2ccc(CNC(=O)O)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C20H22N6O3/c1-3-8-21-19(27)17-9-18(26(25-17)15-6-4-13(2)22-12-15)16-7-5-14(10-23-16)11-24-20(28)29/h4-7,9-10,12,24H,3,8,11H2,1-2H3,(H,21,27)(H,28,29)
InChIKeyOTBZEOWHWCZSDL-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.55
Rot. Bonds7

About [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid

[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid (PubChem CID 23143602) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid
PubChem CID23143602
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid
SMILESCCCNC(=O)c1cc(-c2ccc(CNC(=O)O)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C20H22N6O3/c1-3-8-21-19(27)17-9-18(26(25-17)15-6-4-13(2)22-12-15)16-7-5-14(10-23-16)11-24-20(28)29/h4-7,9-10,12,24H,3,8,11H2,1-2H3,(H,21,27)(H,28,29)
InChIKeyOTBZEOWHWCZSDL-UHFFFAOYSA-N
XLogP2.55
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143450
N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
CID 71193150
5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143604
5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143800
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 71205995
5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 59003597
N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
CID 23143409
5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 71168109
(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62990589
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331

Frequently Asked Questions

What is the IUPAC name of [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid (CID 23143602) is [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid is CCCNC(=O)c1cc(-c2ccc(CNC(=O)O)cn2)n(-c2ccc(C)nc2)n1.
What is the InChIKey of [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid?
The InChIKey is OTBZEOWHWCZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-3-8-21-19(27)17-9-18(26(25-17)15-6-4-13(2)22-12-15)16-7-5-14(10-23-16)11-24-20(28)29/h4-7,9-10,12,24H,3,8,11H2,1-2H3,(H,21,27)(H,28,29).
What are the key properties of [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid?
[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid has a molecular weight of 394.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 23143602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).