4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C18H15F3N6O — CID 90316437

IUPAC4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNC1=NC=CN/C1=C(\N)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)12-5-6-24-13(9-12)27-17(28)11-3-1-10(2-4-11)14(22)15-16(23)26-8-7-25-15/h1-9,25H,22H2,(H2,23,26)(H,24,27,28)/b15-14-
InChIKeyNTPUBISMGKNBPS-PFONDFGASA-N
MW388.35 g/mol
LogP2.41
Rot. Bonds3

About 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 90316437) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID90316437
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNC1=NC=CN/C1=C(\N)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)12-5-6-24-13(9-12)27-17(28)11-3-1-10(2-4-11)14(22)15-16(23)26-8-7-25-15/h1-9,25H,22H2,(H2,23,26)(H,24,27,28)/b15-14-
InChIKeyNTPUBISMGKNBPS-PFONDFGASA-N
XLogP2.41
TPSA118.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-(4-ethyl-2-pyridinyl)benzamide;[(3R)-3-aminopiperidin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 144509973
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-bromo-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 86727855
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
4-[(Z)-[3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyrazin-2-ylidene]-(methylideneamino)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144510161
4-(4-amino-7-prop-1-en-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 167439340
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 90316437) is 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is NC1=NC=CN/C1=C(\N)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is NTPUBISMGKNBPS-PFONDFGASA-N. The full InChI is InChI=1S/C18H15F3N6O/c19-18(20,21)12-5-6-24-13(9-12)27-17(28)11-3-1-10(2-4-11)14(22)15-16(23)26-8-7-25-15/h1-9,25H,22H2,(H2,23,26)(H,24,27,28)/b15-14-.
What are the key properties of 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 388.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-amino-(3-amino-1H-pyrazin-2-ylidene)methyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 90316437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).