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

C12H20N4O2 — CID 125436111

IUPACN-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC[C@H](O)CN(C)C
InChIInChI=1S/C12H20N4O2/c1-13-11-10(5-4-6-14-11)12(18)15-7-9(17)8-16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H,13,14)(H,15,18)/t9-/m0/s1
InChIKeyMJYNWYBSOPYGGE-VIFPVBQESA-N
MW252.32 g/mol
LogP-0.22
Rot. Bonds6

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

N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 125436111) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID125436111
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC[C@H](O)CN(C)C
InChIInChI=1S/C12H20N4O2/c1-13-11-10(5-4-6-14-11)12(18)15-7-9(17)8-16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H,13,14)(H,15,18)/t9-/m0/s1
InChIKeyMJYNWYBSOPYGGE-VIFPVBQESA-N
XLogP-0.22
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
CID 110281401
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide (CID 125436111) is N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NC[C@H](O)CN(C)C.
What is the InChIKey of N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is MJYNWYBSOPYGGE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O2/c1-13-11-10(5-4-6-14-11)12(18)15-7-9(17)8-16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H,13,14)(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide?
N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 125436111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).