N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

C17H18F3N5O — CID 144826437

IUPACN-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CNC(=O)C1CCCN1
InChIInChI=1S/C17H18F3N5O/c1-10-6-22-14(12-8-24-16(25-9-12)17(18,19)20)5-11(10)7-23-15(26)13-3-2-4-21-13/h5-6,8-9,13,21H,2-4,7H2,1H3,(H,23,26)
InChIKeyCWDHYLKLKZVXMR-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.23
Rot. Bonds4

About N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 144826437) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID144826437
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CNC(=O)C1CCCN1
InChIInChI=1S/C17H18F3N5O/c1-10-6-22-14(12-8-24-16(25-9-12)17(18,19)20)5-11(10)7-23-15(26)13-3-2-4-21-13/h5-6,8-9,13,21H,2-4,7H2,1H3,(H,23,26)
InChIKeyCWDHYLKLKZVXMR-UHFFFAOYSA-N
XLogP2.23
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 137409504
[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol
CID 118008127
N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride
CID 140738793
(2R,4R,5R)-4-fluoro-5-methyl-N-[[5-(trifluoromethoxy)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 134249040
N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118288752
N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]carbamate
CID 154502435
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 144826207
N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119309190
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 144826437) is N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CNC(=O)C1CCCN1.
What is the InChIKey of N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CWDHYLKLKZVXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-10-6-22-14(12-8-24-16(25-9-12)17(18,19)20)5-11(10)7-23-15(26)13-3-2-4-21-13/h5-6,8-9,13,21H,2-4,7H2,1H3,(H,23,26).
What are the key properties of N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144826437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).