2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide

C15H19N3O3 — CID 74319438

IUPAC2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(N)CCCN)ccc12
InChIInChI=1S/C15H19N3O3/c1-9-7-14(19)21-13-8-10(4-5-11(9)13)18-15(20)12(17)3-2-6-16/h4-5,7-8,12H,2-3,6,16-17H2,1H3,(H,18,20)
InChIKeyMNDZVJYQUMPBPZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.11
Rot. Bonds5

About 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide

2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide (PubChem CID 74319438) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide.

Molecular Properties

Compound Name2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
PubChem CID74319438
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(N)CCCN)ccc12
InChIInChI=1S/C15H19N3O3/c1-9-7-14(19)21-13-8-10(4-5-11(9)13)18-15(20)12(17)3-2-6-16/h4-5,7-8,12H,2-3,6,16-17H2,1H3,(H,18,20)
InChIKeyMNDZVJYQUMPBPZ-UHFFFAOYSA-N
XLogP1.11
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrochloride
CID 129319301
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-sulfanylbutanamide
CID 71774819
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
N-[(2S)-2,6-diaminohexanoyl]-4-methyl-2-oxochromene-7-carboxamide
CID 11294835
tert-butyl N-[N'-[(4S)-4-amino-5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 112758124
tert-butyl (3R)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate
CID 122173666
benzyl (3S)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate;hydrochloride
CID 74889748
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
CID 175691460
(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 175734994
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-N'-tritylbutanediamide
CID 102005856
9H-fluoren-9-ylmethyl N-[5-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamate;hydrochloride
CID 172882951

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
The IUPAC name of 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide (CID 74319438) is 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide.
What is the SMILES notation for 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
The canonical SMILES for 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide is Cc1cc(=O)oc2cc(NC(=O)C(N)CCCN)ccc12.
What is the InChIKey of 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
The InChIKey is MNDZVJYQUMPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-7-14(19)21-13-8-10(4-5-11(9)13)18-15(20)12(17)3-2-6-16/h4-5,7-8,12H,2-3,6,16-17H2,1H3,(H,18,20).
What are the key properties of 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide has a molecular weight of 289.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide is sourced from PubChem (CID 74319438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).