(2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide

C17H21N5O2 — CID 57091873

IUPAC(2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide
SMILESNC(=O)[C@@](N)(CCCN=C(N)N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21N5O2/c18-15(24)17(21,8-3-9-22-16(19)20)14(23)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,21H2,(H2,18,24)(H4,19,20,22)/t17-/m1/s1
InChIKeyMCHQUKIPHFQPAM-QGZVFWFLSA-N
MW327.39 g/mol
LogP0.26
Rot. Bonds7

About (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide

(2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide (PubChem CID 57091873) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide
PubChem CID57091873
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide
SMILESNC(=O)[C@@](N)(CCCN=C(N)N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21N5O2/c18-15(24)17(21,8-3-9-22-16(19)20)14(23)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,21H2,(H2,18,24)(H4,19,20,22)/t17-/m1/s1
InChIKeyMCHQUKIPHFQPAM-QGZVFWFLSA-N
XLogP0.26
TPSA150.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide
CID 152752799
benzyl (2R)-2-amino-2-benzoyl-5-(diaminomethylideneamino)pentanoate
CID 57149974
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
naphthalene-2-carboxylic acid
CID 175967775
2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone
CID 56655281
N-[4-(diaminomethylideneamino)butyl]-N-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxamide
CID 20647330
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
2-amino-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide;hydron;chloride
CID 74765110
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
N-[2-[2-[3-(diaminomethylideneamino)propylamino]-2-oxoacetyl]-4-fluorophenyl]naphthalene-2-carboxamide;hydrochloride
CID 139413762
2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
CID 75419016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide?
The IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide (CID 57091873) is (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide?
The canonical SMILES for (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide is NC(=O)[C@@](N)(CCCN=C(N)N)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide?
The InChIKey is MCHQUKIPHFQPAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-15(24)17(21,8-3-9-22-16(19)20)14(23)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,21H2,(H2,18,24)(H4,19,20,22)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide?
(2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide has a molecular weight of 327.39 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide is sourced from PubChem (CID 57091873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).