N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C17H14FN5O — CID 109307236

IUPACN-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C17H14FN5O/c18-13-3-5-14(6-4-13)22-16(24)15-7-9-20-17(23-15)21-11-12-2-1-8-19-10-12/h1-10H,11H2,(H,22,24)(H,20,21,23)
InChIKeyLUXDVCQQULVPQA-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.88
Rot. Bonds5

About N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307236) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307236
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC NameN-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C17H14FN5O/c18-13-3-5-14(6-4-13)22-16(24)15-7-9-20-17(23-15)21-11-12-2-1-8-19-10-12/h1-10H,11H2,(H,22,24)(H,20,21,23)
InChIKeyLUXDVCQQULVPQA-UHFFFAOYSA-N
XLogP2.88
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307225
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307275
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305595
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307172
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854101

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109307236) is N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1ccnc(NCc2cccnc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is LUXDVCQQULVPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-13-3-5-14(6-4-13)22-16(24)15-7-9-20-17(23-15)21-11-12-2-1-8-19-10-12/h1-10H,11H2,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).