4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol

C24H36N6O2 — CID 143754027

IUPAC4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol
SMILESCc1cccc(CNC(=O)c2cc(/C(N)=N/N(C)N)cc(C)n2)c1.OCC1CCCCC1
InChIInChI=1S/C17H22N6O.C7H14O/c1-11-5-4-6-13(7-11)10-20-17(24)15-9-14(8-12(2)21-15)16(18)22-23(3)19;8-6-7-4-2-1-3-5-7/h4-9H,10,19H2,1-3H3,(H2,18,22)(H,20,24);7-8H,1-6H2
InChIKeyYVYXVXOJXGZWKI-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.61
Rot. Bonds6

About 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol

4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol (PubChem CID 143754027) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol.

Molecular Properties

Compound Name4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol
PubChem CID143754027
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC Name4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol
SMILESCc1cccc(CNC(=O)c2cc(/C(N)=N/N(C)N)cc(C)n2)c1.OCC1CCCCC1
InChIInChI=1S/C17H22N6O.C7H14O/c1-11-5-4-6-13(7-11)10-20-17(24)15-9-14(8-12(2)21-15)16(18)22-23(3)19;8-6-7-4-2-1-3-5-7/h4-9H,10,19H2,1-3H3,(H2,18,22)(H,20,24);7-8H,1-6H2
InChIKeyYVYXVXOJXGZWKI-UHFFFAOYSA-N
XLogP2.61
TPSA129.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-N-[(3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;methyl cyclohexanecarboxylate
CID 143754043
4-[(Z)-N'-[amino(oxolan-2-ylmethyl)amino]carbamimidoyl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 143754327
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
6-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-N-[[3-(2-hydroxyethoxy)phenyl]methyl]-2-methylpyrimidine-4-carboxamide;N-cyclohexyl-2-hydroxyacetamide
CID 143753950
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
6-methyl-2-(N-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327712
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
5-(N'-hydroxycarbamimidoyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 77005260

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol?
The IUPAC name of 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol (CID 143754027) is 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol.
What is the SMILES notation for 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol?
The canonical SMILES for 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol is Cc1cccc(CNC(=O)c2cc(/C(N)=N/N(C)N)cc(C)n2)c1.OCC1CCCCC1.
What is the InChIKey of 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol?
The InChIKey is YVYXVXOJXGZWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O.C7H14O/c1-11-5-4-6-13(7-11)10-20-17(24)15-9-14(8-12(2)21-15)16(18)22-23(3)19;8-6-7-4-2-1-3-5-7/h4-9H,10,19H2,1-3H3,(H2,18,22)(H,20,24);7-8H,1-6H2.
What are the key properties of 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol?
4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol has a molecular weight of 440.59 g/mol, XLogP of 2.61, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide;cyclohexylmethanol is sourced from PubChem (CID 143754027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).