N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide

C24H25N5O3 — CID 67153684

IUPACN-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide
SMILESNC(N)=NCCC[C@H](NC(=O)c1ccccc1)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H25N5O3/c25-24(26)27-15-7-14-20(28-21(30)17-9-2-1-3-10-17)23(32)29-22(31)19-13-6-11-16-8-4-5-12-18(16)19/h1-6,8-13,20H,7,14-15H2,(H,28,30)(H4,25,26,27)(H,29,31,32)/t20-/m0/s1
InChIKeyHNMGLJWLQUXBNY-FQEVSTJZSA-N
MW431.50 g/mol
LogP1.95
Rot. Bonds8

About N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide

N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide (PubChem CID 67153684) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide
PubChem CID67153684
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide
SMILESNC(N)=NCCC[C@H](NC(=O)c1ccccc1)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H25N5O3/c25-24(26)27-15-7-14-20(28-21(30)17-9-2-1-3-10-17)23(32)29-22(31)19-13-6-11-16-8-4-5-12-18(16)19/h1-6,8-13,20H,7,14-15H2,(H,28,30)(H4,25,26,27)(H,29,31,32)/t20-/m0/s1
InChIKeyHNMGLJWLQUXBNY-FQEVSTJZSA-N
XLogP1.95
TPSA139.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrate;hydrochloride
CID 2724353
(2S)-2-[[(2S)-2-benzamido-5-(diaminomethylideneamino)(113C)pentanoyl]amino]propanoic acid
CID 67030984
methyl (2R)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 133109165
naphthalen-1-yl (2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 70523890
N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-1-ylmethylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-4-fluorobenzamide
CID 11556145
N-[(2S)-1-(cyclooctylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide
CID 10643949
ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate chloride
CID 45108589
naphthalen-1-yl 2-[2-[(2-benzamido-4-methylpentanoyl)amino]propanoylamino]-5-(diaminomethylideneamino)pentanoate
CID 13055268
N-[(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanoyl]-4-hydroxybenzamide
CID 67994458
[(1R)-1-benzamido-4-(diaminomethylideneamino)butyl]boronic acid
CID 134142089
N-[(2S)-1-amino-5-[[amino-(chloroamino)methylidene]amino]-1-oxopentan-2-yl]benzamide
CID 71716214
N-[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]-4-methoxynaphthalene-2-carboxamide;dihydrochloride
CID 72943131

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide (CID 67153684) is N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide is NC(N)=NCCC[C@H](NC(=O)c1ccccc1)C(=O)NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide?
The InChIKey is HNMGLJWLQUXBNY-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N5O3/c25-24(26)27-15-7-14-20(28-21(30)17-9-2-1-3-10-17)23(32)29-22(31)19-13-6-11-16-8-4-5-12-18(16)19/h1-6,8-13,20H,7,14-15H2,(H,28,30)(H4,25,26,27)(H,29,31,32)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide?
N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 1.95, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide is sourced from PubChem (CID 67153684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).