N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide

C18H17N5O2 — CID 167980628

IUPACN-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide
SMILESCC1(NC(=O)c2ccc3ccccc3n2)CN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C18H17N5O2/c1-18(10-23(11-18)17(25)13-8-19-20-9-13)22-16(24)15-7-6-12-4-2-3-5-14(12)21-15/h2-9H,10-11H2,1H3,(H,19,20)(H,22,24)
InChIKeyZNKZWNKQYKEZGV-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.60
Rot. Bonds3

About N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide

N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide (PubChem CID 167980628) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide
PubChem CID167980628
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide
SMILESCC1(NC(=O)c2ccc3ccccc3n2)CN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C18H17N5O2/c1-18(10-23(11-18)17(25)13-8-19-20-9-13)22-16(24)15-7-6-12-4-2-3-5-14(12)21-15/h2-9H,10-11H2,1H3,(H,19,20)(H,22,24)
InChIKeyZNKZWNKQYKEZGV-UHFFFAOYSA-N
XLogP1.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
(4-bromo-3,3-dimethylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 130934480
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712404
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
N-(2-methoxypyrimidin-5-yl)quinoline-2-carboxamide
CID 122301510
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
N-piperidin-1-ylquinoline-2-carboxamide
CID 9270998
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 30336602
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide?
The IUPAC name of N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide (CID 167980628) is N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide is CC1(NC(=O)c2ccc3ccccc3n2)CN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide?
The InChIKey is ZNKZWNKQYKEZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-18(10-23(11-18)17(25)13-8-19-20-9-13)22-16(24)15-7-6-12-4-2-3-5-14(12)21-15/h2-9H,10-11H2,1H3,(H,19,20)(H,22,24).
What are the key properties of N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide?
N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]quinoline-2-carboxamide is sourced from PubChem (CID 167980628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).