N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide

C19H18F2N6O — CID 149278130

IUPACN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1CC(Cn2cccn2)C1
InChIInChI=1S/C19H18F2N6O/c20-13-2-3-14(15(21)8-13)17-5-4-16(22)18(24-17)25-19(28)26-9-12(10-26)11-27-7-1-6-23-27/h1-8,12H,9-11,22H2,(H,24,25,28)
InChIKeyXSKLUUPRKHUJKJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.97
Rot. Bonds4

About N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide

N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide (PubChem CID 149278130) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
PubChem CID149278130
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1CC(Cn2cccn2)C1
InChIInChI=1S/C19H18F2N6O/c20-13-2-3-14(15(21)8-13)17-5-4-16(22)18(24-17)25-19(28)26-9-12(10-26)11-27-7-1-6-23-27/h1-8,12H,9-11,22H2,(H,24,25,28)
InChIKeyXSKLUUPRKHUJKJ-UHFFFAOYSA-N
XLogP2.97
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide (CID 149278130) is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide is Nc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1CC(Cn2cccn2)C1.
What is the InChIKey of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
The InChIKey is XSKLUUPRKHUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-13-2-3-14(15(21)8-13)17-5-4-16(22)18(24-17)25-19(28)26-9-12(10-26)11-27-7-1-6-23-27/h1-8,12H,9-11,22H2,(H,24,25,28).
What are the key properties of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 149278130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).