N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide

C16H20F2N2O2 — CID 138048171

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide
SMILESCN(CC(O)C1CC1)C(=O)C1(c2cccnc2)CC(F)(F)C1
InChIInChI=1S/C16H20F2N2O2/c1-20(8-13(21)11-4-5-11)14(22)15(9-16(17,18)10-15)12-3-2-6-19-7-12/h2-3,6-7,11,13,21H,4-5,8-10H2,1H3
InChIKeyPPZKLXDCLGPURD-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.98
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide (PubChem CID 138048171) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide
PubChem CID138048171
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide
SMILESCN(CC(O)C1CC1)C(=O)C1(c2cccnc2)CC(F)(F)C1
InChIInChI=1S/C16H20F2N2O2/c1-20(8-13(21)11-4-5-11)14(22)15(9-16(17,18)10-15)12-3-2-6-19-7-12/h2-3,6-7,11,13,21H,4-5,8-10H2,1H3
InChIKeyPPZKLXDCLGPURD-UHFFFAOYSA-N
XLogP1.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,3-difluoro-1-pyridin-3-ylcyclobutane-1-carboxylate
CID 118062001
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 111859078
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-difluoro-1-pyridin-3-ylcyclobutane-1-carboxamide
CID 146152633
2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone
CID 103455714
(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842
3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
CID 103564024
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid
CID 79006712
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
CID 24657988
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
1-(cyclobutylmethyl)-3-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-1-propan-2-ylurea
CID 99840857

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide (CID 138048171) is N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide is CN(CC(O)C1CC1)C(=O)C1(c2cccnc2)CC(F)(F)C1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide?
The InChIKey is PPZKLXDCLGPURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-20(8-13(21)11-4-5-11)14(22)15(9-16(17,18)10-15)12-3-2-6-19-7-12/h2-3,6-7,11,13,21H,4-5,8-10H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-3,3-difluoro-N-methyl-1-pyridin-3-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 138048171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).