1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea

C17H21N5O2 — CID 146229631

IUPAC1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea
SMILES[H]/N=C/c1cc(NC(=O)NC(c2ccccc2)C(C)(C)O)ncc1N
InChIInChI=1S/C17H21N5O2/c1-17(2,24)15(11-6-4-3-5-7-11)22-16(23)21-14-8-12(9-18)13(19)10-20-14/h3-10,15,18,24H,19H2,1-2H3,(H2,20,21,22,23)/b18-9+
InChIKeySZLUKLXETINNBW-GIJQJNRQSA-N
MW327.39 g/mol
LogP2.30
Rot. Bonds5

About 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea

1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea (PubChem CID 146229631) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea.

Molecular Properties

Compound Name1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea
PubChem CID146229631
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea
SMILES[H]/N=C/c1cc(NC(=O)NC(c2ccccc2)C(C)(C)O)ncc1N
InChIInChI=1S/C17H21N5O2/c1-17(2,24)15(11-6-4-3-5-7-11)22-16(23)21-14-8-12(9-18)13(19)10-20-14/h3-10,15,18,24H,19H2,1-2H3,(H2,20,21,22,23)/b18-9+
InChIKeySZLUKLXETINNBW-GIJQJNRQSA-N
XLogP2.30
TPSA124.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea
CID 126824169
1-[3-ethoxy-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
CID 118365277
1-[3-(2,6-dimethyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
CID 118365079
methyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395286
N-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidoyl]-N-methylacetamide
CID 144598905
2,2-difluoroethyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395281
1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118395362
2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123531420
4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
CID 144599383
[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl] carbamate
CID 118381017
1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 135293192

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea?
The IUPAC name of 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea (CID 146229631) is 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea.
What is the SMILES notation for 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea?
The canonical SMILES for 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea is [H]/N=C/c1cc(NC(=O)NC(c2ccccc2)C(C)(C)O)ncc1N.
What is the InChIKey of 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea?
The InChIKey is SZLUKLXETINNBW-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-17(2,24)15(11-6-4-3-5-7-11)22-16(23)21-14-8-12(9-18)13(19)10-20-14/h3-10,15,18,24H,19H2,1-2H3,(H2,20,21,22,23)/b18-9+.
What are the key properties of 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea?
1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea has a molecular weight of 327.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea is sourced from PubChem (CID 146229631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).