2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide

C16H21N3O2 — CID 139211300

IUPAC2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide
SMILESCC1=CC(=O)Cc2cc(NC(=O)C(N)CCCN)ccc21
InChIInChI=1S/C16H21N3O2/c1-10-7-13(20)9-11-8-12(4-5-14(10)11)19-16(21)15(18)3-2-6-17/h4-5,7-8,15H,2-3,6,9,17-18H2,1H3,(H,19,21)
InChIKeyGWVXGHBXSCPKDT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.22
Rot. Bonds5

About 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide

2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide (PubChem CID 139211300) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide.

Molecular Properties

Compound Name2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide
PubChem CID139211300
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide
SMILESCC1=CC(=O)Cc2cc(NC(=O)C(N)CCCN)ccc21
InChIInChI=1S/C16H21N3O2/c1-10-7-13(20)9-11-8-12(4-5-14(10)11)19-16(21)15(18)3-2-6-17/h4-5,7-8,15H,2-3,6,9,17-18H2,1H3,(H,19,21)
InChIKeyGWVXGHBXSCPKDT-UHFFFAOYSA-N
XLogP1.22
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
CID 104906781
(2S)-2,6-diamino-N-[3-[[6-[3-[[(2S)-2,6-diaminohexanoyl]amino]propanoylamino]-9,10-dioxoanthracen-2-yl]amino]-3-oxopropyl]hexanamide
CID 25107498
(2S)-2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrochloride
CID 129319301
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
CID 90473324
2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide
CID 123418286
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
2-[5-(2,5-diaminopentanoylamino)-2-methoxyanilino]acetic acid
CID 123852911
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide
CID 119322563
(2S)-2,6-diamino-N-(6'-aminospiro[1H-2-benzofuran-3,9'-xanthene]-3'-yl)hexanamide
CID 177291086

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide?
The IUPAC name of 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide (CID 139211300) is 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide.
What is the SMILES notation for 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide?
The canonical SMILES for 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide is CC1=CC(=O)Cc2cc(NC(=O)C(N)CCCN)ccc21.
What is the InChIKey of 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide?
The InChIKey is GWVXGHBXSCPKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-7-13(20)9-11-8-12(4-5-14(10)11)19-16(21)15(18)3-2-6-17/h4-5,7-8,15H,2-3,6,9,17-18H2,1H3,(H,19,21).
What are the key properties of 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide?
2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide has a molecular weight of 287.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-(5-methyl-7-oxo-8H-naphthalen-2-yl)pentanamide is sourced from PubChem (CID 139211300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).