N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide

C22H23FN6O — CID 134542873

IUPACN-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
SMILESCN1CCC(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3F)n2)CC1
InChIInChI=1S/C22H23FN6O/c1-29-12-8-15(9-13-29)26-22-25-11-7-19(28-22)21(30)27-20-14-24-10-6-17(20)16-4-2-3-5-18(16)23/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyJRAQUGWHVGZMME-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide

N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide (PubChem CID 134542873) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
PubChem CID134542873
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC NameN-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
SMILESCN1CCC(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3F)n2)CC1
InChIInChI=1S/C22H23FN6O/c1-29-12-8-15(9-13-29)26-22-25-11-7-19(28-22)21(30)27-20-14-24-10-6-17(20)16-4-2-3-5-18(16)23/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyJRAQUGWHVGZMME-UHFFFAOYSA-N
XLogP3.44
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556719
N-(2-tert-butylphenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311458
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855
2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109298011
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556611
2-(4-methylsulfanylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134543081
2-[(2-fluorophenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569228
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298020
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
CID 109295693
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide (CID 134542873) is N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide is CN1CCC(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3F)n2)CC1.
What is the InChIKey of N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is JRAQUGWHVGZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-29-12-8-15(9-13-29)26-22-25-11-7-19(28-22)21(30)27-20-14-24-10-6-17(20)16-4-2-3-5-18(16)23/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,27,30)(H,25,26,28).
What are the key properties of N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 134542873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).