[(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium

C25H29N6O2+ — CID 144697571

IUPAC[(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium
SMILESCC(C)Oc1ccc(N)c(C(=[NH2+])c2ccnc(NC(=O)C3CCN(c4ccccn4)C3)c2)c1
InChIInChI=1S/C25H28N6O2/c1-16(2)33-19-6-7-21(26)20(14-19)24(27)17-8-11-28-22(13-17)30-25(32)18-9-12-31(15-18)23-5-3-4-10-29-23/h3-8,10-11,13-14,16,18,27H,9,12,15,26H2,1-2H3,(H,28,30,32)/p+1
InChIKeyUDEZYGMCSSBMOV-UHFFFAOYSA-O
MW445.55 g/mol
LogP1.91
Rot. Bonds7

About [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium

[(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium (PubChem CID 144697571) has the molecular formula C25H29N6O2+ and a molecular weight of 445.55 g/mol. Its IUPAC name is [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium.

Molecular Properties

Compound Name[(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium
PubChem CID144697571
Molecular FormulaC25H29N6O2+
Molecular Weight445.55 g/mol
Exact Mass445.23
IUPAC Name[(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium
SMILESCC(C)Oc1ccc(N)c(C(=[NH2+])c2ccnc(NC(=O)C3CCN(c4ccccn4)C3)c2)c1
InChIInChI=1S/C25H28N6O2/c1-16(2)33-19-6-7-21(26)20(14-19)24(27)17-8-11-28-22(13-17)30-25(32)18-9-12-31(15-18)23-5-3-4-10-29-23/h3-8,10-11,13-14,16,18,27H,9,12,15,26H2,1-2H3,(H,28,30,32)/p+1
InChIKeyUDEZYGMCSSBMOV-UHFFFAOYSA-O
XLogP1.91
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 89363606
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine
CID 144697614
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55887177
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
methyl 2-amino-5-(4-pyridin-2-ylpiperazin-1-yl)benzoate
CID 146347076

Frequently Asked Questions

What is the IUPAC name of [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium?
The IUPAC name of [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium (CID 144697571) is [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium.
What is the SMILES notation for [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium?
The canonical SMILES for [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium is CC(C)Oc1ccc(N)c(C(=[NH2+])c2ccnc(NC(=O)C3CCN(c4ccccn4)C3)c2)c1.
What is the InChIKey of [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium?
The InChIKey is UDEZYGMCSSBMOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H28N6O2/c1-16(2)33-19-6-7-21(26)20(14-19)24(27)17-8-11-28-22(13-17)30-25(32)18-9-12-31(15-18)23-5-3-4-10-29-23/h3-8,10-11,13-14,16,18,27H,9,12,15,26H2,1-2H3,(H,28,30,32)/p+1.
What are the key properties of [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium?
[(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium has a molecular weight of 445.55 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-5-propan-2-yloxyphenyl)-[2-[(1-pyridin-2-ylpyrrolidine-3-carbonyl)amino]-4-pyridinyl]methylidene]azanium is sourced from PubChem (CID 144697571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).