methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen

C17H25N5O3 — CID 144599263

IUPACmethyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen
SMILES[H]/N=C(\OC)c1cnc(NC(=O)NC2COc3ccccc3C2)cc1N.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H19N5O3.3H2/c1-24-16(19)12-8-20-15(7-13(12)18)22-17(23)21-11-6-10-4-2-3-5-14(10)25-9-11;;;/h2-5,7-8,11,19H,6,9H2,1H3,(H4,18,20,21,22,23);3*1H/b19-16-;;;
InChIKeyRLXYVTLTONSLKZ-HUHOLVHESA-N
MW347.42 g/mol
LogP2.50
Rot. Bonds3

About methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen

methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen (PubChem CID 144599263) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen
PubChem CID144599263
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Namemethyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen
SMILES[H]/N=C(\OC)c1cnc(NC(=O)NC2COc3ccccc3C2)cc1N.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H19N5O3.3H2/c1-24-16(19)12-8-20-15(7-13(12)18)22-17(23)21-11-6-10-4-2-3-5-14(10)25-9-11;;;/h2-5,7-8,11,19H,6,9H2,1H3,(H4,18,20,21,22,23);3*1H/b19-16-;;;
InChIKeyRLXYVTLTONSLKZ-HUHOLVHESA-N
XLogP2.50
TPSA122.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.50
H-Bond Donors ≤ 54
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

1-(4-amino-5-carbamimidoyl-2-pyridinyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
CID 135293447
methyl 4-amino-6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamoylamino]pyridine-3-carboximidate
CID 123889747
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
CID 22580776
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
1-(3,4-difluorophenyl)-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713549
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
2-(5-amino-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide;hydrochloride
CID 120623696
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
CID 94066552

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen?
The IUPAC name of methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen (CID 144599263) is methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen.
What is the SMILES notation for methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen?
The canonical SMILES for methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen is [H]/N=C(\OC)c1cnc(NC(=O)NC2COc3ccccc3C2)cc1N.[H][H].[H][H].[H][H].
What is the InChIKey of methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen?
The InChIKey is RLXYVTLTONSLKZ-HUHOLVHESA-N. The full InChI is InChI=1S/C17H19N5O3.3H2/c1-24-16(19)12-8-20-15(7-13(12)18)22-17(23)21-11-6-10-4-2-3-5-14(10)25-9-11;;;/h2-5,7-8,11,19H,6,9H2,1H3,(H4,18,20,21,22,23);3*1H/b19-16-;;;.
What are the key properties of methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen?
methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen has a molecular weight of 347.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen is sourced from PubChem (CID 144599263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).