3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide

C27H32N6O2 — CID 143144363

IUPAC3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide
SMILESN/C=C\N(N)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCC2)c2ccccc12
InChIInChI=1S/C27H32N6O2/c28-14-16-33(29)18-20-12-13-23(22-10-5-4-9-21(20)22)26(34)32-24-11-6-15-30-25(24)27(35)31-17-19-7-2-1-3-8-19/h4-6,9-16,19H,1-3,7-8,17-18,28-29H2,(H,31,35)(H,32,34)/b16-14-
InChIKeyGEQFKVHVGLEBPC-PEZBUJJGSA-N
MW472.59 g/mol
LogP3.90
Rot. Bonds8

About 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide

3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide (PubChem CID 143144363) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide
PubChem CID143144363
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide
SMILESN/C=C\N(N)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCC2)c2ccccc12
InChIInChI=1S/C27H32N6O2/c28-14-16-33(29)18-20-12-13-23(22-10-5-4-9-21(20)22)26(34)32-24-11-6-15-30-25(24)27(35)31-17-19-7-2-1-3-8-19/h4-6,9-16,19H,1-3,7-8,17-18,28-29H2,(H,31,35)(H,32,34)/b16-14-
InChIKeyGEQFKVHVGLEBPC-PEZBUJJGSA-N
XLogP3.90
TPSA126.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide (CID 143144363) is 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide is N/C=C\N(N)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCC2)c2ccccc12.
What is the InChIKey of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide?
The InChIKey is GEQFKVHVGLEBPC-PEZBUJJGSA-N. The full InChI is InChI=1S/C27H32N6O2/c28-14-16-33(29)18-20-12-13-23(22-10-5-4-9-21(20)22)26(34)32-24-11-6-15-30-25(24)27(35)31-17-19-7-2-1-3-8-19/h4-6,9-16,19H,1-3,7-8,17-18,28-29H2,(H,31,35)(H,32,34)/b16-14-.
What are the key properties of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide?
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.90, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 143144363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).