2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate

C19H25N5O4 — CID 123531420

IUPAC2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OCCOC)c1cnc(NC(=O)NC(c2ccccc2)C(C)O)cc1N
InChIInChI=1S/C19H25N5O4/c1-12(25)17(13-6-4-3-5-7-13)24-19(26)23-16-10-15(20)14(11-22-16)18(21)28-9-8-27-2/h3-7,10-12,17,21,25H,8-9H2,1-2H3,(H4,20,22,23,24,26)/b21-18-
InChIKeyLIWGKEXFGOPMRD-UZYVYHOESA-N
MW387.44 g/mol
LogP1.90
Rot. Bonds8

About 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate

2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate (PubChem CID 123531420) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate.

Molecular Properties

Compound Name2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
PubChem CID123531420
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OCCOC)c1cnc(NC(=O)NC(c2ccccc2)C(C)O)cc1N
InChIInChI=1S/C19H25N5O4/c1-12(25)17(13-6-4-3-5-7-13)24-19(26)23-16-10-15(20)14(11-22-16)18(21)28-9-8-27-2/h3-7,10-12,17,21,25H,8-9H2,1-2H3,(H4,20,22,23,24,26)/b21-18-
InChIKeyLIWGKEXFGOPMRD-UZYVYHOESA-N
XLogP1.90
TPSA142.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
2-methoxyethyl 4-amino-6-[[(S)-(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]pyridine-3-carboximidate
CID 118373965
4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
CID 144599383
2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
CID 144599200
(2-methyloxan-4-yl) 4-amino-6-[[(1R)-3-methoxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboximidate;molecular hydrogen
CID 144599441
methyl 4-amino-6-[1-(4-chloro-3-methylphenyl)ethylcarbamoylamino]pyridine-3-carboximidate
CID 123473234
N-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidoyl]-N-methylacetamide
CID 144598905
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
1-[4-amino-5-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]-2-pyridinyl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
CID 162593837
methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
CID 123643244
ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
CID 144599211
1-[4-amino-5-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidoyl)-2-pyridinyl]-3-[(1S)-2-methoxy-1-phenylethyl]urea;molecular hydrogen
CID 144598708

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
The IUPAC name of 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate (CID 123531420) is 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate.
What is the SMILES notation for 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
The canonical SMILES for 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate is [H]/N=C(\OCCOC)c1cnc(NC(=O)NC(c2ccccc2)C(C)O)cc1N.
What is the InChIKey of 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
The InChIKey is LIWGKEXFGOPMRD-UZYVYHOESA-N. The full InChI is InChI=1S/C19H25N5O4/c1-12(25)17(13-6-4-3-5-7-13)24-19(26)23-16-10-15(20)14(11-22-16)18(21)28-9-8-27-2/h3-7,10-12,17,21,25H,8-9H2,1-2H3,(H4,20,22,23,24,26)/b21-18-.
What are the key properties of 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate has a molecular weight of 387.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate is sourced from PubChem (CID 123531420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).