N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

C20H22F3N5O2 — CID 53312014

IUPACN-(6-amino-3-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)cn1
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)26-14-2-4-18(24)25-12-14/h1-4,11-12,16H,5-10H2,(H2,24,25)(H,26,29)
InChIKeyGCGFCTKAWMKFOR-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.36
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (PubChem CID 53312014) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
PubChem CID53312014
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC NameN-(6-amino-3-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)cn1
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)26-14-2-4-18(24)25-12-14/h1-4,11-12,16H,5-10H2,(H2,24,25)(H,26,29)
InChIKeyGCGFCTKAWMKFOR-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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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (CID 53312014) is N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(6-amino-3-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)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The InChIKey is GCGFCTKAWMKFOR-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)26-14-2-4-18(24)25-12-14/h1-4,11-12,16H,5-10H2,(H2,24,25)(H,26,29).
What are the key properties of N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
N-(6-amino-3-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-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53312014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).