N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

C20H17FN4O — CID 169175838

IUPACN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3cccnc32)cc1-c1ncc(F)cn1
InChIInChI=1S/C20H17FN4O/c1-12-4-6-15(9-17(12)19-23-10-14(21)11-24-19)25-20(26)16-7-5-13-3-2-8-22-18(13)16/h2-4,6,8-11,16H,5,7H2,1H3,(H,25,26)
InChIKeyWFVZWKFKMQUGJY-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.65
Rot. Bonds3

About N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (PubChem CID 169175838) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
PubChem CID169175838
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3cccnc32)cc1-c1ncc(F)cn1
InChIInChI=1S/C20H17FN4O/c1-12-4-6-15(9-17(12)19-23-10-14(21)11-24-19)25-20(26)16-7-5-13-3-2-8-22-18(13)16/h2-4,6,8-11,16H,5,7H2,1H3,(H,25,26)
InChIKeyWFVZWKFKMQUGJY-UHFFFAOYSA-N
XLogP3.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 169176187
(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
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
CID 169176512
(2S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-3-iodo-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176862
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
CID 169176102
(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176226
(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide
CID 169176571
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 169176342
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
(3R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 169176649
(5S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(1,2,4-triazin-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176237

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (CID 169175838) is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The canonical SMILES for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is Cc1ccc(NC(=O)C2CCc3cccnc32)cc1-c1ncc(F)cn1.
What is the InChIKey of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The InChIKey is WFVZWKFKMQUGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-4-6-15(9-17(12)19-23-10-14(21)11-24-19)25-20(26)16-7-5-13-3-2-8-22-18(13)16/h2-4,6,8-11,16H,5,7H2,1H3,(H,25,26).
What are the key properties of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is sourced from PubChem (CID 169175838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).