N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide

C21H22FN5O2 — CID 71837960

IUPACN-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCOCC3)nc(C(=O)NCc3ccccc3F)nc2n1
InChIInChI=1S/C21H22FN5O2/c1-13-11-14(2)24-18-17(13)20(27-7-9-29-10-8-27)26-19(25-18)21(28)23-12-15-5-3-4-6-16(15)22/h3-6,11H,7-10,12H2,1-2H3,(H,23,28)
InChIKeyPXRWBUVAOORPIW-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.55
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide

N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 71837960) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID71837960
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCOCC3)nc(C(=O)NCc3ccccc3F)nc2n1
InChIInChI=1S/C21H22FN5O2/c1-13-11-14(2)24-18-17(13)20(27-7-9-29-10-8-27)26-19(25-18)21(28)23-12-15-5-3-4-6-16(15)22/h3-6,11H,7-10,12H2,1-2H3,(H,23,28)
InChIKeyPXRWBUVAOORPIW-UHFFFAOYSA-N
XLogP2.55
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731245
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837973
5,7-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837939
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
4-fluoro-3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38542555
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide (CID 71837960) is N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide is Cc1cc(C)c2c(N3CCOCC3)nc(C(=O)NCc3ccccc3F)nc2n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is PXRWBUVAOORPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-11-14(2)24-18-17(13)20(27-7-9-29-10-8-27)26-19(25-18)21(28)23-12-15-5-3-4-6-16(15)22/h3-6,11H,7-10,12H2,1-2H3,(H,23,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 71837960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).