3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide

C19H14N8O — CID 121351050

IUPAC3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
SMILESN#Cc1nc(C(=O)NCc2cccc3cccnc23)c(N)nc1-n1cccn1
InChIInChI=1S/C19H14N8O/c20-10-14-18(27-9-3-8-24-27)26-17(21)16(25-14)19(28)23-11-13-5-1-4-12-6-2-7-22-15(12)13/h1-9H,11H2,(H2,21,26)(H,23,28)
InChIKeyRXCQXXDVSRDDAX-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide

3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide (PubChem CID 121351050) has the molecular formula C19H14N8O and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
PubChem CID121351050
Molecular FormulaC19H14N8O
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
SMILESN#Cc1nc(C(=O)NCc2cccc3cccnc23)c(N)nc1-n1cccn1
InChIInChI=1S/C19H14N8O/c20-10-14-18(27-9-3-8-24-27)26-17(21)16(25-14)19(28)23-11-13-5-1-4-12-6-2-7-22-15(12)13/h1-9H,11H2,(H2,21,26)(H,23,28)
InChIKeyRXCQXXDVSRDDAX-UHFFFAOYSA-N
XLogP1.59
TPSA135.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide
CID 121351246
3-amino-6-(difluoromethyl)-5-(4-methylpyrazol-1-yl)-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide;3-amino-6-formyl-5-(4-methylpyrazol-1-yl)-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
CID 135375629
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110470876
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide
CID 145086057
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427388
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide (CID 121351050) is 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide is N#Cc1nc(C(=O)NCc2cccc3cccnc23)c(N)nc1-n1cccn1.
What is the InChIKey of 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is RXCQXXDVSRDDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O/c20-10-14-18(27-9-3-8-24-27)26-17(21)16(25-14)19(28)23-11-13-5-1-4-12-6-2-7-22-15(12)13/h1-9H,11H2,(H2,21,26)(H,23,28).
What are the key properties of 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).