methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate

C18H18FN3O3 — CID 167979420

IUPACmethyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(CNc2ccc(C(=O)NC3CC3)cn2)c1
InChIInChI=1S/C18H18FN3O3/c1-25-18(24)11-2-6-15(19)13(8-11)10-21-16-7-3-12(9-20-16)17(23)22-14-4-5-14/h2-3,6-9,14H,4-5,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyYZYVZANICHYFNX-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.51
Rot. Bonds6

About methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate

methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate (PubChem CID 167979420) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
PubChem CID167979420
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Namemethyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(CNc2ccc(C(=O)NC3CC3)cn2)c1
InChIInChI=1S/C18H18FN3O3/c1-25-18(24)11-2-6-15(19)13(8-11)10-21-16-7-3-12(9-20-16)17(23)22-14-4-5-14/h2-3,6-9,14H,4-5,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyYZYVZANICHYFNX-UHFFFAOYSA-N
XLogP2.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate with MolForge

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Related Compounds

methyl 3-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]-4-fluorobenzoate
CID 133449615
N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
CID 142344711
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
CID 167906219
N-cyclopropyl-6-(1,3-oxazol-5-ylmethylamino)pyridine-3-carboxamide
CID 167750031
N-cyclopropyl-6-[(1-fluorocyclobutyl)methylamino]pyridine-3-carboxamide
CID 167907269
N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide
CID 166293592
6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
CID 167759595
N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 167933726
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate?
The IUPAC name of methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate (CID 167979420) is methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate.
What is the SMILES notation for methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate?
The canonical SMILES for methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate is COC(=O)c1ccc(F)c(CNc2ccc(C(=O)NC3CC3)cn2)c1.
What is the InChIKey of methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate?
The InChIKey is YZYVZANICHYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-25-18(24)11-2-6-15(19)13(8-11)10-21-16-7-3-12(9-20-16)17(23)22-14-4-5-14/h2-3,6-9,14H,4-5,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate?
methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate has a molecular weight of 343.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate is sourced from PubChem (CID 167979420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).