(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol

C15H22F3N5O — CID 162729808

IUPAC(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol
SMILESCN(N)/C(CO)=C(\N)c1ccc(N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H22F3N5O/c1-22(20)12(9-24)13(19)10-5-6-11(14(21-10)15(16,17)18)23-7-3-2-4-8-23/h5-6,24H,2-4,7-9,19-20H2,1H3/b13-12-
InChIKeyAISULLNFOJXPNV-SEYXRHQNSA-N
MW345.37 g/mol
LogP1.52
Rot. Bonds4

About (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol

(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol (PubChem CID 162729808) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol
PubChem CID162729808
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol
SMILESCN(N)/C(CO)=C(\N)c1ccc(N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H22F3N5O/c1-22(20)12(9-24)13(19)10-5-6-11(14(21-10)15(16,17)18)23-7-3-2-4-8-23/h5-6,24H,2-4,7-9,19-20H2,1H3/b13-12-
InChIKeyAISULLNFOJXPNV-SEYXRHQNSA-N
XLogP1.52
TPSA91.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 172768945
(Z)-3-[amino-[(Z)-2-amino-3-cyclopropylprop-1-enyl]amino]-2-[amino(methyl)amino]-1-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-1-en-1-amine;ethane;formic acid
CID 162729868
(Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal
CID 162730100
N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 168957491
(Z)-4-[6-[amino(ethenyl)amino]pyrimidin-4-yl]-2-[amino(methyl)amino]-1-(6-ethyl-5-piperidin-1-yl-2-pyridinyl)but-1-en-1-amine;ethanamine;ethane;ethenol
CID 162730008
6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
CID 130473517
1-methyl-1-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 177168012
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(3,3-difluoropiperidin-1-yl)-6-ethyl-2-pyridinyl]prop-2-enyl]-4-propylpyridin-2-one
CID 162730179
acetic acid;(Z)-2-[amino(methyl)amino]-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]-1-[5-(3,3-difluoropiperidin-1-yl)-6-ethyl-2-pyridinyl]prop-1-en-1-amine
CID 162730146
acetic acid;1-[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(3,3-difluoropiperidin-1-yl)-6-ethyl-2-pyridinyl]prop-2-enyl]-5-(azetidin-1-yl)pyridin-2-one
CID 162730117
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
CID 172815704
3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide
CID 154280149

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol (CID 162729808) is (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol is CN(N)/C(CO)=C(\N)c1ccc(N2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol?
The InChIKey is AISULLNFOJXPNV-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-22(20)12(9-24)13(19)10-5-6-11(14(21-10)15(16,17)18)23-7-3-2-4-8-23/h5-6,24H,2-4,7-9,19-20H2,1H3/b13-12-.
What are the key properties of (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol?
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol has a molecular weight of 345.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol is sourced from PubChem (CID 162729808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).