N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide

C12H19N3O2 — CID 99778610

IUPACN-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N(C)C[C@H](C)O)nc1
InChIInChI=1S/C12H19N3O2/c1-4-13-12(17)10-5-6-11(14-7-10)15(3)8-9(2)16/h5-7,9,16H,4,8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyZNNFPEPSYFBITO-VIFPVBQESA-N
MW237.30 g/mol
LogP0.65
Rot. Bonds5

About N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide

N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide (PubChem CID 99778610) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide
PubChem CID99778610
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N(C)C[C@H](C)O)nc1
InChIInChI=1S/C12H19N3O2/c1-4-13-12(17)10-5-6-11(14-7-10)15(3)8-9(2)16/h5-7,9,16H,4,8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyZNNFPEPSYFBITO-VIFPVBQESA-N
XLogP0.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447882
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339216
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
N-hydroxy-6-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]pyridine-3-carboxamide
CID 177268272
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62337035

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide (CID 99778610) is N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide is CCNC(=O)c1ccc(N(C)C[C@H](C)O)nc1.
What is the InChIKey of N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide?
The InChIKey is ZNNFPEPSYFBITO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-13-12(17)10-5-6-11(14-7-10)15(3)8-9(2)16/h5-7,9,16H,4,8H2,1-3H3,(H,13,17)/t9-/m0/s1.
What are the key properties of N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide?
N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 99778610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).