[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid

C13H15N5O3 — CID 66723619

IUPAC[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid
SMILESCc1cc(NC(=O)O)nc(C)c1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C13H15N5O3/c1-7-3-11(18-13(20)21)17-8(2)10(7)6-14-12(19)9-4-15-16-5-9/h3-5H,6H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)
InChIKeyUWWNLJACBRHVGC-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.44
Rot. Bonds4

About [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid

[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid (PubChem CID 66723619) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid
PubChem CID66723619
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid
SMILESCc1cc(NC(=O)O)nc(C)c1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C13H15N5O3/c1-7-3-11(18-13(20)21)17-8(2)10(7)6-14-12(19)9-4-15-16-5-9/h3-5H,6H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)
InChIKeyUWWNLJACBRHVGC-UHFFFAOYSA-N
XLogP1.44
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid
CID 66729186
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate
CID 58081341
[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
CID 66729492
3,5-dimethyl-4-(methylaminomethyl)aniline;1H-pyrazole-4-carboxylic acid
CID 174936436
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide;ethyl 1H-pyrazole-4-carboxylate;1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 158294833
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
tert-butyl N-[5-[[[1-[[4-[(2,5-dihydroxypyrrol-1-yl)methyl]phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 123512175
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872

Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid (CID 66723619) is [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid is Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1cn[nH]c1.
What is the InChIKey of [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
The InChIKey is UWWNLJACBRHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-7-3-11(18-13(20)21)17-8(2)10(7)6-14-12(19)9-4-15-16-5-9/h3-5H,6H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21).
What are the key properties of [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid has a molecular weight of 289.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 66723619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).