4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide

C13H21N3O3 — CID 66175860

IUPAC4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC(O)CO)ccn1
InChIInChI=1S/C13H21N3O3/c1-3-16(4-2)13(19)12-7-10(5-6-14-12)15-8-11(18)9-17/h5-7,11,17-18H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyGNFYRHYMKSQZPM-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.33
Rot. Bonds7

About 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide

4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 66175860) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
PubChem CID66175860
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC(O)CO)ccn1
InChIInChI=1S/C13H21N3O3/c1-3-16(4-2)13(19)12-7-10(5-6-14-12)15-8-11(18)9-17/h5-7,11,17-18H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyGNFYRHYMKSQZPM-UHFFFAOYSA-N
XLogP0.33
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
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
methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
CID 62006426
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
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide (CID 66175860) is 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCC(O)CO)ccn1.
What is the InChIKey of 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is GNFYRHYMKSQZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-16(4-2)13(19)12-7-10(5-6-14-12)15-8-11(18)9-17/h5-7,11,17-18H,3-4,8-9H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide?
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 66175860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).