2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H20N6O — CID 166319911

IUPAC2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1c(NC(=O)c2cc3c(nc2N)CCCC3)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H20N6O/c1-11-16(12-6-8-21-9-7-12)24-25-18(11)23-19(26)14-10-13-4-2-3-5-15(13)22-17(14)20/h6-10H,2-5H2,1H3,(H2,20,22)(H2,23,24,25,26)
InChIKeyCYSUOVASSFUIRS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.89
Rot. Bonds3

About 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 166319911) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID166319911
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1c(NC(=O)c2cc3c(nc2N)CCCC3)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H20N6O/c1-11-16(12-6-8-21-9-7-12)24-25-18(11)23-19(26)14-10-13-4-2-3-5-15(13)22-17(14)20/h6-10H,2-5H2,1H3,(H2,20,22)(H2,23,24,25,26)
InChIKeyCYSUOVASSFUIRS-UHFFFAOYSA-N
XLogP2.89
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 166319911) is 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1c(NC(=O)c2cc3c(nc2N)CCCC3)n[nH]c1-c1ccncc1.
What is the InChIKey of 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is CYSUOVASSFUIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-11-16(12-6-8-21-9-7-12)24-25-18(11)23-19(26)14-10-13-4-2-3-5-15(13)22-17(14)20/h6-10H,2-5H2,1H3,(H2,20,22)(H2,23,24,25,26).
What are the key properties of 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 166319911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).