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

C17H21N5O3 — CID 123695637

IUPACmethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cnc(NC(=O)NC(c2ccccc2)C(C)O)cc1N
InChIInChI=1S/C17H21N5O3/c1-10(23)15(11-6-4-3-5-7-11)22-17(24)21-14-8-13(18)12(9-20-14)16(19)25-2/h3-10,15,19,23H,1-2H3,(H4,18,20,21,22,24)/b19-16-
InChIKeyNQYDLMVYNFTGJG-MNDPQUGUSA-N
MW343.39 g/mol
LogP1.88
Rot. Bonds5

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

methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate (PubChem CID 123695637) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
PubChem CID123695637
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Namemethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cnc(NC(=O)NC(c2ccccc2)C(C)O)cc1N
InChIInChI=1S/C17H21N5O3/c1-10(23)15(11-6-4-3-5-7-11)22-17(24)21-14-8-13(18)12(9-20-14)16(19)25-2/h3-10,15,19,23H,1-2H3,(H4,18,20,21,22,24)/b19-16-
InChIKeyNQYDLMVYNFTGJG-MNDPQUGUSA-N
XLogP1.88
TPSA133.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
methyl 4-amino-6-[1-(4-chloro-3-methylphenyl)ethylcarbamoylamino]pyridine-3-carboximidate
CID 123473234
2-methoxyethyl 4-amino-6-[[(S)-(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]pyridine-3-carboximidate
CID 118373965
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
methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
CID 123643244
1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 135293192
N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
CID 135293439
methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen
CID 144599263
(2-methyloxan-4-yl) 4-amino-6-[[(1R)-3-methoxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboximidate;molecular hydrogen
CID 144599441
1-[amino-[4-amino-6-(1-phenylethylcarbamoylamino)-3-pyridinyl]methylidene]-3-propan-2-ylurea
CID 123235333

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
The IUPAC name of methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate (CID 123695637) is methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate.
What is the SMILES notation for methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
The canonical SMILES for methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate is [H]/N=C(\OC)c1cnc(NC(=O)NC(c2ccccc2)C(C)O)cc1N.
What is the InChIKey of methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
The InChIKey is NQYDLMVYNFTGJG-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10(23)15(11-6-4-3-5-7-11)22-17(24)21-14-8-13(18)12(9-20-14)16(19)25-2/h3-10,15,19,23H,1-2H3,(H4,18,20,21,22,24)/b19-16-.
What are the key properties of methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate?
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate has a molecular weight of 343.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate is sourced from PubChem (CID 123695637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).