[(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium

C24H24N7O2+ — CID 144697825

IUPAC[(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium
SMILESCC(C)Oc1ccc(N)c(C(=[NH2+])c2ccnc(NC(=O)c3ccccc3-n3cncn3)c2)c1
InChIInChI=1S/C24H23N7O2/c1-15(2)33-17-7-8-20(25)19(12-17)23(26)16-9-10-28-22(11-16)30-24(32)18-5-3-4-6-21(18)31-14-27-13-29-31/h3-15,26H,25H2,1-2H3,(H,28,30,32)/p+1
InChIKeyFGSGFOKPWCVRMJ-UHFFFAOYSA-O
MW442.50 g/mol
LogP1.88
Rot. Bonds7

About [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium

[(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium (PubChem CID 144697825) has the molecular formula C24H24N7O2+ and a molecular weight of 442.50 g/mol. Its IUPAC name is [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium.

Molecular Properties

Compound Name[(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium
PubChem CID144697825
Molecular FormulaC24H24N7O2+
Molecular Weight442.50 g/mol
Exact Mass442.20
IUPAC Name[(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium
SMILESCC(C)Oc1ccc(N)c(C(=[NH2+])c2ccnc(NC(=O)c3ccccc3-n3cncn3)c2)c1
InChIInChI=1S/C24H23N7O2/c1-15(2)33-17-7-8-20(25)19(12-17)23(26)16-9-10-28-22(11-16)30-24(32)18-5-3-4-6-21(18)31-14-27-13-29-31/h3-15,26H,25H2,1-2H3,(H,28,30,32)/p+1
InChIKeyFGSGFOKPWCVRMJ-UHFFFAOYSA-O
XLogP1.88
TPSA133.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 157372779
[(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium
CID 144697571
N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine
CID 144697614
sodium [4-[[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]carbamoyl]-2-pyridinyl]-methanimidoylazanide
CID 144697880
N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51966121
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134703354
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131899092
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134707784
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417

Frequently Asked Questions

What is the IUPAC name of [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium?
The IUPAC name of [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium (CID 144697825) is [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium.
What is the SMILES notation for [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium?
The canonical SMILES for [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium is CC(C)Oc1ccc(N)c(C(=[NH2+])c2ccnc(NC(=O)c3ccccc3-n3cncn3)c2)c1.
What is the InChIKey of [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium?
The InChIKey is FGSGFOKPWCVRMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N7O2/c1-15(2)33-17-7-8-20(25)19(12-17)23(26)16-9-10-28-22(11-16)30-24(32)18-5-3-4-6-21(18)31-14-27-13-29-31/h3-15,26H,25H2,1-2H3,(H,28,30,32)/p+1.
What are the key properties of [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium?
[(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium has a molecular weight of 442.50 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium is sourced from PubChem (CID 144697825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).