N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

C20H22F3N5O2 — CID 71242623

IUPACN-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)nc1
InChIInChI=1S/C20H22F3N5O2/c21-20(22,23)13-1-3-15-16(5-10-30-17(15)11-13)27-6-8-28(9-7-27)19(29)26-18-4-2-14(24)12-25-18/h1-4,11-12,16H,5-10,24H2,(H,25,26,29)
InChIKeyYIQJEEYHBLMXMP-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.36
Rot. Bonds2

About N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (PubChem CID 71242623) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
PubChem CID71242623
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC NameN-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)nc1
InChIInChI=1S/C20H22F3N5O2/c21-20(22,23)13-1-3-15-16(5-10-30-17(15)11-13)27-6-8-28(9-7-27)19(29)26-18-4-2-14(24)12-25-18/h1-4,11-12,16H,5-10,24H2,(H,25,26,29)
InChIKeyYIQJEEYHBLMXMP-UHFFFAOYSA-N
XLogP3.36
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 53312014
N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 53312093
N-pyridazin-3-yl-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 53311845
4-hydroxy-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide
CID 70922857
4-(3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-[8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide;N-(6-methyl-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;3-oxo-N-phenyl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-phenyl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 158315594
4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide
CID 167928986
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
CID 70922738
4-[1-methylsulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 53312011
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55695316
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
tert-butyl 4-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 70922687

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (CID 71242623) is N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is Nc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The InChIKey is YIQJEEYHBLMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c21-20(22,23)13-1-3-15-16(5-10-30-17(15)11-13)27-6-8-28(9-7-27)19(29)26-18-4-2-14(24)12-25-18/h1-4,11-12,16H,5-10,24H2,(H,25,26,29).
What are the key properties of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71242623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).