N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide

C19H24N6O2 — CID 135293439

IUPACN-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
SMILESCC(C)C(=O)/N=C(\N)c1cnc(NC(=O)N[C@H](C)c2ccccc2)cc1N
InChIInChI=1S/C19H24N6O2/c1-11(2)18(26)25-17(21)14-10-22-16(9-15(14)20)24-19(27)23-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,21,25,26)(H4,20,22,23,24,27)/t12-/m1/s1
InChIKeyDSGPLNBDCNHRJL-GFCCVEGCSA-N
MW368.44 g/mol
LogP2.43
Rot. Bonds5

About N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide

N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide (PubChem CID 135293439) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide.

Molecular Properties

Compound NameN-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
PubChem CID135293439
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
SMILESCC(C)C(=O)/N=C(\N)c1cnc(NC(=O)N[C@H](C)c2ccccc2)cc1N
InChIInChI=1S/C19H24N6O2/c1-11(2)18(26)25-17(21)14-10-22-16(9-15(14)20)24-19(27)23-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,21,25,26)(H4,20,22,23,24,27)/t12-/m1/s1
InChIKeyDSGPLNBDCNHRJL-GFCCVEGCSA-N
XLogP2.43
TPSA135.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 135293192
1-[amino-[4-amino-6-(1-phenylethylcarbamoylamino)-3-pyridinyl]methylidene]-3-propan-2-ylurea
CID 123235333
1-[4-amino-5-[N'-(3-oxocyclopenten-1-yl)carbamimidoyl]-2-pyridinyl]-3-(1-phenylethyl)urea
CID 123347814
1-[4-amino-5-(N'-ethylcarbamimidoyl)-2-pyridinyl]-3-(1-pyridin-3-ylethyl)urea
CID 135293264
methyl N-[amino-[4-amino-6-[1-(2-fluorophenyl)ethylcarbamoylamino]-3-pyridinyl]methylidene]carbamate
CID 123585268
N-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidoyl]-N-methylacetamide
CID 144598905
4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
CID 144599383
1-[4-amino-5-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]-2-pyridinyl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
CID 162593837
1-[4-amino-5-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidoyl)-2-pyridinyl]-3-[(1R)-1-phenylethyl]urea
CID 144598860
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
CID 118380886
1-[4-amino-5-[N'-[[3-(2-hydroxypropan-2-yl)cyclobutyl]methyl]carbamimidoyl]-2-pyridinyl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
CID 144598671

Frequently Asked Questions

What is the IUPAC name of N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide?
The IUPAC name of N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide (CID 135293439) is N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide.
What is the SMILES notation for N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide?
The canonical SMILES for N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide is CC(C)C(=O)/N=C(\N)c1cnc(NC(=O)N[C@H](C)c2ccccc2)cc1N.
What is the InChIKey of N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide?
The InChIKey is DSGPLNBDCNHRJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11(2)18(26)25-17(21)14-10-22-16(9-15(14)20)24-19(27)23-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,21,25,26)(H4,20,22,23,24,27)/t12-/m1/s1.
What are the key properties of N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide?
N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide has a molecular weight of 368.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide is sourced from PubChem (CID 135293439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).