(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide

C27H29N5O — CID 101159513

IUPAC(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide
SMILESNC(N)=NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C27H29N5O/c28-27(29)30-16-6-13-25(31-18-19-14-15-20-7-1-2-9-22(20)17-19)26(33)32-24-12-5-10-21-8-3-4-11-23(21)24/h1-5,7-12,14-15,17,25,31H,6,13,16,18H2,(H,32,33)(H4,28,29,30)/t25-/m1/s1
InChIKeyMOENHRSRNGVQFI-RUZDIDTESA-N
MW439.56 g/mol
LogP4.14
Rot. Bonds9

About (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide

(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide (PubChem CID 101159513) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide.

Molecular Properties

Compound Name(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide
PubChem CID101159513
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide
SMILESNC(N)=NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C27H29N5O/c28-27(29)30-16-6-13-25(31-18-19-14-15-20-7-1-2-9-22(20)17-19)26(33)32-24-12-5-10-21-8-3-4-11-23(21)24/h1-5,7-12,14-15,17,25,31H,6,13,16,18H2,(H,32,33)(H4,28,29,30)/t25-/m1/s1
InChIKeyMOENHRSRNGVQFI-RUZDIDTESA-N
XLogP4.14
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide
CID 175342859
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 175731663
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
2-amino-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide;hydron;chloride
CID 74765110
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[2-(naphthalene-2-carbonylamino)phenyl]-2-oxoacetyl]amino]pentanoyl]amino]pentanoic acid
CID 139413769
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoic acid
CID 175747779
(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide
CID 54435355
N-[[4-[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 16728334
(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 164626062
benzyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 67601662
5-(diaminomethylideneamino)-2-(3-phenylpropanoylamino)pentanoic acid
CID 142026144

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide?
The IUPAC name of (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide (CID 101159513) is (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide.
What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide?
The canonical SMILES for (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide is NC(N)=NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide?
The InChIKey is MOENHRSRNGVQFI-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29N5O/c28-27(29)30-16-6-13-25(31-18-19-14-15-20-7-1-2-9-22(20)17-19)26(33)32-24-12-5-10-21-8-3-4-11-23(21)24/h1-5,7-12,14-15,17,25,31H,6,13,16,18H2,(H,32,33)(H4,28,29,30)/t25-/m1/s1.
What are the key properties of (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide?
(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide has a molecular weight of 439.56 g/mol, XLogP of 4.14, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide is sourced from PubChem (CID 101159513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).