3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide

C22H27F3N6O2 — CID 77407692

IUPAC3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(C(F)(F)F)cn2)C1
InChIInChI=1S/C22H27F3N6O2/c23-22(24,25)17-10-29-19(31-21(32)14-1-2-15(26)7-14)8-16(17)18-11-27-12-20(30-18)28-9-13-3-5-33-6-4-13/h8,10-15H,1-7,9,26H2,(H,28,30)(H,29,31,32)
InChIKeyWHPNHLZXLCXGBV-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.46
Rot. Bonds6

About 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide

3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 77407692) has the molecular formula C22H27F3N6O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide
PubChem CID77407692
Molecular FormulaC22H27F3N6O2
Molecular Weight464.49 g/mol
Exact Mass464.21
IUPAC Name3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(C(F)(F)F)cn2)C1
InChIInChI=1S/C22H27F3N6O2/c23-22(24,25)17-10-29-19(31-21(32)14-1-2-15(26)7-14)8-16(17)18-11-27-12-20(30-18)28-9-13-3-5-33-6-4-13/h8,10-15H,1-7,9,26H2,(H,28,30)(H,29,31,32)
InChIKeyWHPNHLZXLCXGBV-UHFFFAOYSA-N
XLogP3.46
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 67980208
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053
(3S,6R)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 123426883
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 67033659
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide
CID 67033474
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide
CID 67034230
N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
CID 123874054
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 67033343
2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
CID 78989247
N-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407659

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide (CID 77407692) is 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The InChIKey is WHPNHLZXLCXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O2/c23-22(24,25)17-10-29-19(31-21(32)14-1-2-15(26)7-14)8-16(17)18-11-27-12-20(30-18)28-9-13-3-5-33-6-4-13/h8,10-15H,1-7,9,26H2,(H,28,30)(H,29,31,32).
What are the key properties of 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 77407692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).