(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide

C23H26N6O — CID 67208656

IUPAC(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide
SMILESC=NN(/C=C(\N)C(=O)NCc1c(C)cc(N)nc1C)Cc1cccc2ccccc12
InChIInChI=1S/C23H26N6O/c1-15-11-22(25)28-16(2)20(15)12-27-23(30)21(24)14-29(26-3)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-11,14H,3,12-13,24H2,1-2H3,(H2,25,28)(H,27,30)/b21-14-
InChIKeyOSHFEEYRTKDMOZ-STZFKDTASA-N
MW402.50 g/mol
LogP2.97
Rot. Bonds7

About (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide

(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide (PubChem CID 67208656) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide
PubChem CID67208656
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide
SMILESC=NN(/C=C(\N)C(=O)NCc1c(C)cc(N)nc1C)Cc1cccc2ccccc12
InChIInChI=1S/C23H26N6O/c1-15-11-22(25)28-16(2)20(15)12-27-23(30)21(24)14-29(26-3)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-11,14H,3,12-13,24H2,1-2H3,(H2,25,28)(H,27,30)/b21-14-
InChIKeyOSHFEEYRTKDMOZ-STZFKDTASA-N
XLogP2.97
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
CID 139341058
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide
CID 67208629
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide
CID 118002620
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
CID 58081339
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide
CID 145206929
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 8806653
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide (CID 67208656) is (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide is C=NN(/C=C(\N)C(=O)NCc1c(C)cc(N)nc1C)Cc1cccc2ccccc12.
What is the InChIKey of (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide?
The InChIKey is OSHFEEYRTKDMOZ-STZFKDTASA-N. The full InChI is InChI=1S/C23H26N6O/c1-15-11-22(25)28-16(2)20(15)12-27-23(30)21(24)14-29(26-3)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-11,14H,3,12-13,24H2,1-2H3,(H2,25,28)(H,27,30)/b21-14-.
What are the key properties of (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide?
(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide has a molecular weight of 402.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide is sourced from PubChem (CID 67208656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).