1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide

C19H21FN4O — CID 91785443

IUPAC1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide
SMILESCNc1cc(C2CC(NC(=O)C3(c4ccccc4F)CC3)C2)ncn1
InChIInChI=1S/C19H21FN4O/c1-21-17-10-16(22-11-23-17)12-8-13(9-12)24-18(25)19(6-7-19)14-4-2-3-5-15(14)20/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyNZNBXYHPNGUNBQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide (PubChem CID 91785443) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide
PubChem CID91785443
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide
SMILESCNc1cc(C2CC(NC(=O)C3(c4ccccc4F)CC3)C2)ncn1
InChIInChI=1S/C19H21FN4O/c1-21-17-10-16(22-11-23-17)12-8-13(9-12)24-18(25)19(6-7-19)14-4-2-3-5-15(14)20/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyNZNBXYHPNGUNBQ-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 75374478
N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 139020107
1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 47908630
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134703607
1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide
CID 69259424
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)cyclopropane-1-carboxamide
CID 110464016
1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 110245229
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide (CID 91785443) is 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide is CNc1cc(C2CC(NC(=O)C3(c4ccccc4F)CC3)C2)ncn1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide?
The InChIKey is NZNBXYHPNGUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-21-17-10-16(22-11-23-17)12-8-13(9-12)24-18(25)19(6-7-19)14-4-2-3-5-15(14)20/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91785443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).