N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide

C23H24FN5O — CID 169176102

IUPACN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(C)N2c2ccccn2)cc1-c1ncc(F)cn1
InChIInChI=1S/C23H24FN5O/c1-15-9-10-18(12-19(15)22-26-13-17(24)14-27-22)28-23(30)20-7-5-6-16(2)29(20)21-8-3-4-11-25-21/h3-4,8-14,16,20H,5-7H2,1-2H3,(H,28,30)
InChIKeyDMSSWROKUZXZIW-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.37
Rot. Bonds4

About N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide

N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide (PubChem CID 169176102) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
PubChem CID169176102
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(C)N2c2ccccn2)cc1-c1ncc(F)cn1
InChIInChI=1S/C23H24FN5O/c1-15-9-10-18(12-19(15)22-26-13-17(24)14-27-22)28-23(30)20-7-5-6-16(2)29(20)21-8-3-4-11-25-21/h3-4,8-14,16,20H,5-7H2,1-2H3,(H,28,30)
InChIKeyDMSSWROKUZXZIW-UHFFFAOYSA-N
XLogP4.37
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176226
(7R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-methyl-2-pyrimidin-2-yl-2-azabicyclo[4.1.0]heptane-3-carboxamide
CID 169175899
(2S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-3-iodo-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176862
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
CID 169176512
(1R,3R,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrimidin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176239
(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide
CID 169176571
(2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 169176187
(1S,3S,5S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrazin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176763923
(1S,3S,5S)-N-[3-(5-fluoropyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-pyridin-2-yl-2-azabicyclo[3.2.0]heptane-3-carboxamide
CID 169176360
(1R,3S,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrazin-2-yl-2-azabicyclo[3.2.0]hept-6-yne-3-carboxamide
CID 169177133
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 169175838
(1S,3S,5S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(3-methylsulfanyl-1,2,4-triazin-6-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176763989

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide (CID 169176102) is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCC(C)N2c2ccccn2)cc1-c1ncc(F)cn1.
What is the InChIKey of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide?
The InChIKey is DMSSWROKUZXZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15-9-10-18(12-19(15)22-26-13-17(24)14-27-22)28-23(30)20-7-5-6-16(2)29(20)21-8-3-4-11-25-21/h3-4,8-14,16,20H,5-7H2,1-2H3,(H,28,30).
What are the key properties of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide?
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 169176102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).