6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide

C24H23N5O — CID 166992737

IUPAC6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide
SMILES[H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C(=O)NC3=CC=CN(C)C3)cccc2c1
InChIInChI=1S/C24H23N5O/c1-29-12-4-6-17(14-29)28-24(30)20-8-2-5-15-13-16(10-11-18(15)20)19-7-3-9-21(25)22(19)23(26)27/h2-13H,14,25H2,1H3,(H3,26,27)(H,28,30)
InChIKeySDRXXJONSIVJJS-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.45
Rot. Bonds4

About 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide

6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide (PubChem CID 166992737) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide
PubChem CID166992737
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide
SMILES[H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C(=O)NC3=CC=CN(C)C3)cccc2c1
InChIInChI=1S/C24H23N5O/c1-29-12-4-6-17(14-29)28-24(30)20-8-2-5-15-13-16(10-11-18(15)20)19-7-3-9-21(25)22(19)23(26)27/h2-13H,14,25H2,1H3,(H3,26,27)(H,28,30)
InChIKeySDRXXJONSIVJJS-UHFFFAOYSA-N
XLogP3.45
TPSA108.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide (CID 166992737) is 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide is [H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C(=O)NC3=CC=CN(C)C3)cccc2c1.
What is the InChIKey of 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide?
The InChIKey is SDRXXJONSIVJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29-12-4-6-17(14-29)28-24(30)20-8-2-5-15-13-16(10-11-18(15)20)19-7-3-9-21(25)22(19)23(26)27/h2-13H,14,25H2,1H3,(H3,26,27)(H,28,30).
What are the key properties of 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide?
6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 166992737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).