2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

C19H18FN5O — CID 109258815

IUPAC2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(NCCc2ccccc2F)nc1
InChIInChI=1S/C19H18FN5O/c20-17-6-2-1-5-15(17)7-9-22-19-24-12-16(13-25-19)18(26)23-11-14-4-3-8-21-10-14/h1-6,8,10,12-13H,7,9,11H2,(H,23,26)(H,22,24,25)
InChIKeyHVOQSNINIYNOQB-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.60
Rot. Bonds7

About 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109258815) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109258815
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(NCCc2ccccc2F)nc1
InChIInChI=1S/C19H18FN5O/c20-17-6-2-1-5-15(17)7-9-22-19-24-12-16(13-25-19)18(26)23-11-14-4-3-8-21-10-14/h1-6,8,10,12-13H,7,9,11H2,(H,23,26)(H,22,24,25)
InChIKeyHVOQSNINIYNOQB-UHFFFAOYSA-N
XLogP2.60
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255820
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307172
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255062
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (CID 109258815) is 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1cccnc1)c1cnc(NCCc2ccccc2F)nc1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is HVOQSNINIYNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-17-6-2-1-5-15(17)7-9-22-19-24-12-16(13-25-19)18(26)23-11-14-4-3-8-21-10-14/h1-6,8,10,12-13H,7,9,11H2,(H,23,26)(H,22,24,25).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).