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

C20H18F2N6O — CID 147018729

IUPACN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1CC(Cc2cnccn2)C1
InChIInChI=1S/C20H18F2N6O/c21-13-1-2-15(16(22)8-13)18-4-3-17(23)19(26-18)27-20(29)28-10-12(11-28)7-14-9-24-5-6-25-14/h1-6,8-9,12H,7,10-11,23H2,(H,26,27,29)
InChIKeyAVHCOOHAGKHYEO-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.11
Rot. Bonds4

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

N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide (PubChem CID 147018729) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
PubChem CID147018729
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1CC(Cc2cnccn2)C1
InChIInChI=1S/C20H18F2N6O/c21-13-1-2-15(16(22)8-13)18-4-3-17(23)19(26-18)27-20(29)28-10-12(11-28)7-14-9-24-5-6-25-14/h1-6,8-9,12H,7,10-11,23H2,(H,26,27,29)
InChIKeyAVHCOOHAGKHYEO-UHFFFAOYSA-N
XLogP3.11
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.11
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-(pyrazin-2-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide (CID 147018729) is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide is Nc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1CC(Cc2cnccn2)C1.
What is the InChIKey of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide?
The InChIKey is AVHCOOHAGKHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-13-1-2-15(16(22)8-13)18-4-3-17(23)19(26-18)27-20(29)28-10-12(11-28)7-14-9-24-5-6-25-14/h1-6,8-9,12H,7,10-11,23H2,(H,26,27,29).
What are the key properties of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide?
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.11, 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-(pyrazin-2-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 147018729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).