4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid

C12H18N4O3 — CID 64894459

IUPAC4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
SMILESCN(C)c1ccc(NC(=O)C(N)CCC(=O)O)cn1
InChIInChI=1S/C12H18N4O3/c1-16(2)10-5-3-8(7-14-10)15-12(19)9(13)4-6-11(17)18/h3,5,7,9H,4,6,13H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVBTLPQFVKIDXKG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.28
Rot. Bonds6

About 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid

4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid (PubChem CID 64894459) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
PubChem CID64894459
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
SMILESCN(C)c1ccc(NC(=O)C(N)CCC(=O)O)cn1
InChIInChI=1S/C12H18N4O3/c1-16(2)10-5-3-8(7-14-10)15-12(19)9(13)4-6-11(17)18/h3,5,7,9H,4,6,13H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVBTLPQFVKIDXKG-UHFFFAOYSA-N
XLogP0.28
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide
CID 146149113
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
3-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-phenylpropanamide
CID 62876785
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
CID 119845900
benzyl N-[(2S,3S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 30271496
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
CID 113392266

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid (CID 64894459) is 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid is CN(C)c1ccc(NC(=O)C(N)CCC(=O)O)cn1.
What is the InChIKey of 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid?
The InChIKey is VBTLPQFVKIDXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16(2)10-5-3-8(7-14-10)15-12(19)9(13)4-6-11(17)18/h3,5,7,9H,4,6,13H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid?
4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 64894459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).