4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide

C15H15N5O — CID 63375555

IUPAC4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NCc2cn[nH]c2)nc2ccccc12
InChIInChI=1S/C15H15N5O/c1-16-13-6-14(20-12-5-3-2-4-11(12)13)15(21)17-7-10-8-18-19-9-10/h2-6,8-9H,7H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeySBJFGZJLZOTOHY-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.93
Rot. Bonds4

About 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide

4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide (PubChem CID 63375555) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
PubChem CID63375555
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NCc2cn[nH]c2)nc2ccccc12
InChIInChI=1S/C15H15N5O/c1-16-13-6-14(20-12-5-3-2-4-11(12)13)15(21)17-7-10-8-18-19-9-10/h2-6,8-9H,7H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeySBJFGZJLZOTOHY-UHFFFAOYSA-N
XLogP1.93
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(methylamino)quinoline-2-carboxamide
CID 63375460
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
CID 82940781
N-cyclopropyl-N-ethyl-4-(methylamino)quinoline-2-carboxamide
CID 63375436
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
5-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 54897309
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 115987219

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide (CID 63375555) is 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide is CNc1cc(C(=O)NCc2cn[nH]c2)nc2ccccc12.
What is the InChIKey of 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide?
The InChIKey is SBJFGZJLZOTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-16-13-6-14(20-12-5-3-2-4-11(12)13)15(21)17-7-10-8-18-19-9-10/h2-6,8-9H,7H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide?
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).