methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate

C19H26N6O2 — CID 144599335

IUPACmethyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1c(N)cc(NC(=O)N[C@H](C)c2ccccc2)nc1CN(C)C
InChIInChI=1S/C19H26N6O2/c1-12(13-8-6-5-7-9-13)22-19(26)24-16-10-14(20)17(18(21)27-4)15(23-16)11-25(2)3/h5-10,12,21H,11H2,1-4H3,(H4,20,22,23,24,26)/b21-18-/t12-/m1/s1
InChIKeyPZBXIDFKBYZFAR-ACHDJDMMSA-N
MW370.46 g/mol
LogP2.58
Rot. Bonds6

About methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate

methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate (PubChem CID 144599335) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate
PubChem CID144599335
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Namemethyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1c(N)cc(NC(=O)N[C@H](C)c2ccccc2)nc1CN(C)C
InChIInChI=1S/C19H26N6O2/c1-12(13-8-6-5-7-9-13)22-19(26)24-16-10-14(20)17(18(21)27-4)15(23-16)11-25(2)3/h5-10,12,21H,11H2,1-4H3,(H4,20,22,23,24,26)/b21-18-/t12-/m1/s1
InChIKeyPZBXIDFKBYZFAR-ACHDJDMMSA-N
XLogP2.58
TPSA116.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.58
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'}

Analyze methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate with MolForge

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Related Compounds

1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123564301
1-[4-amino-5-(2-fluoropyridine-4-carboximidoyl)-6-(hydroxymethyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 144869658
N-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidoyl]-N-methylacetamide
CID 144598905
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea
CID 135293200
2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123531420
1-[3-methoxy-4-(methylaminomethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118365096
methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate
CID 144599052
methyl 4-amino-6-[1-(4-chloro-3-methylphenyl)ethylcarbamoylamino]pyridine-3-carboximidate
CID 123473234
1-[1-(cyclopropylmethyl)-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
CID 146216019
1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123166578
1-[1-cyclopentyl-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
CID 146216002

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate?
The IUPAC name of methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate (CID 144599335) is methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate.
What is the SMILES notation for methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate?
The canonical SMILES for methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate is [H]/N=C(\OC)c1c(N)cc(NC(=O)N[C@H](C)c2ccccc2)nc1CN(C)C.
What is the InChIKey of methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate?
The InChIKey is PZBXIDFKBYZFAR-ACHDJDMMSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12(13-8-6-5-7-9-13)22-19(26)24-16-10-14(20)17(18(21)27-4)15(23-16)11-25(2)3/h5-10,12,21H,11H2,1-4H3,(H4,20,22,23,24,26)/b21-18-/t12-/m1/s1.
What are the key properties of methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate?
methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate has a molecular weight of 370.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate is sourced from PubChem (CID 144599335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).