N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide

C21H21F3N4O2 — CID 69399822

IUPACN-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C21H21F3N4O2/c1-2-10-25-19(29)15-8-9-18(26-13-15)27-11-5-12-28(14-27)20(30)16-6-3-4-7-17(16)21(22,23)24/h3-9,11,13H,2,10,12,14H2,1H3,(H,25,29)
InChIKeyYNZSWXZTJSDQSS-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.67
Rot. Bonds5

About N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide

N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide (PubChem CID 69399822) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
PubChem CID69399822
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC NameN-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C21H21F3N4O2/c1-2-10-25-19(29)15-8-9-18(26-13-15)27-11-5-12-28(14-27)20(30)16-6-3-4-7-17(16)21(22,23)24/h3-9,11,13H,2,10,12,14H2,1H3,(H,25,29)
InChIKeyYNZSWXZTJSDQSS-UHFFFAOYSA-N
XLogP3.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399821
N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
CID 69399659
N-(2-phenylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
CID 25105829
N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
CID 25105830
N-(4,6-dimethylheptan-2-yl)-6-[3-(2-nitrobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
CID 69397603
N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 11213066
N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399829
6-anilino-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 59559675
1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]urea
CID 11328730
N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
6-[4-(2-methylphenyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527508
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012400

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide (CID 69399822) is N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide is CCCNC(=O)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2)nc1.
What is the InChIKey of N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
The InChIKey is YNZSWXZTJSDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-2-10-25-19(29)15-8-9-18(26-13-15)27-11-5-12-28(14-27)20(30)16-6-3-4-7-17(16)21(22,23)24/h3-9,11,13H,2,10,12,14H2,1H3,(H,25,29).
What are the key properties of N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69399822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).