N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide

C14H13N5O — CID 79529850

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H13N5O/c15-13-11(8-18-19-13)7-17-14(20)10-3-4-12-9(6-10)2-1-5-16-12/h1-6,8H,7H2,(H,17,20)(H3,15,18,19)
InChIKeyIAXUKIVUMVGEPH-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.47
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide (PubChem CID 79529850) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
PubChem CID79529850
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H13N5O/c15-13-11(8-18-19-13)7-17-14(20)10-3-4-12-9(6-10)2-1-5-16-12/h1-6,8H,7H2,(H,17,20)(H3,15,18,19)
InChIKeyIAXUKIVUMVGEPH-UHFFFAOYSA-N
XLogP1.47
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
CID 59192233
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79530883
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide (CID 79529850) is N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide is Nc1[nH]ncc1CNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide?
The InChIKey is IAXUKIVUMVGEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-13-11(8-18-19-13)7-17-14(20)10-3-4-12-9(6-10)2-1-5-16-12/h1-6,8H,7H2,(H,17,20)(H3,15,18,19).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 79529850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).