2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid

C15H23N3O3 — CID 65226330

IUPAC2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
SMILESCCC(CNc1ccnc(C(=O)N(CC)CC)c1)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-4-11(15(20)21)10-17-12-7-8-16-13(9-12)14(19)18(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyNKRMKLSHCYZYIH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds8

About 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid

2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid (PubChem CID 65226330) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
PubChem CID65226330
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
SMILESCCC(CNc1ccnc(C(=O)N(CC)CC)c1)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-4-11(15(20)21)10-17-12-7-8-16-13(9-12)14(19)18(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyNKRMKLSHCYZYIH-UHFFFAOYSA-N
XLogP2.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid
CID 65224219
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
CID 106231329
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid (CID 65226330) is 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid is CCC(CNc1ccnc(C(=O)N(CC)CC)c1)C(=O)O.
What is the InChIKey of 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid?
The InChIKey is NKRMKLSHCYZYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11(15(20)21)10-17-12-7-8-16-13(9-12)14(19)18(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H,16,17)(H,20,21).
What are the key properties of 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid?
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65226330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).