4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide

C12H14N6O2 — CID 107346578

IUPAC4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(-n2cc(N)c(C(N)=O)n2)c(C(N)=O)c(C)n1
InChIInChI=1S/C12H14N6O2/c1-5-3-8(9(11(14)19)6(2)16-5)18-4-7(13)10(17-18)12(15)20/h3-4H,13H2,1-2H3,(H2,14,19)(H2,15,20)
InChIKeyKUUQDKOCWHWHIP-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.34
Rot. Bonds3

About 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide

4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 107346578) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID107346578
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(-n2cc(N)c(C(N)=O)n2)c(C(N)=O)c(C)n1
InChIInChI=1S/C12H14N6O2/c1-5-3-8(9(11(14)19)6(2)16-5)18-4-7(13)10(17-18)12(15)20/h3-4H,13H2,1-2H3,(H2,14,19)(H2,15,20)
InChIKeyKUUQDKOCWHWHIP-UHFFFAOYSA-N
XLogP-0.34
TPSA142.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide (CID 107346578) is 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1cc(-n2cc(N)c(C(N)=O)n2)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is KUUQDKOCWHWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-5-3-8(9(11(14)19)6(2)16-5)18-4-7(13)10(17-18)12(15)20/h3-4H,13H2,1-2H3,(H2,14,19)(H2,15,20).
What are the key properties of 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide?
4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-carbamoylpyrazol-1-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 107346578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).