(2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide

C16H25N3O3 — CID 124753576

IUPAC(2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccccn1)N(C)CC1(CO)CCOCC1
InChIInChI=1S/C16H25N3O3/c1-13(15(21)18-14-5-3-4-8-17-14)19(2)11-16(12-20)6-9-22-10-7-16/h3-5,8,13,20H,6-7,9-12H2,1-2H3,(H,17,18,21)/t13-/m1/s1
InChIKeyMGNJVSKBBNSQGQ-CYBMUJFWSA-N
MW307.39 g/mol
LogP1.13
Rot. Bonds6

About (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide

(2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide (PubChem CID 124753576) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide
PubChem CID124753576
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccccn1)N(C)CC1(CO)CCOCC1
InChIInChI=1S/C16H25N3O3/c1-13(15(21)18-14-5-3-4-8-17-14)19(2)11-16(12-20)6-9-22-10-7-16/h3-5,8,13,20H,6-7,9-12H2,1-2H3,(H,17,18,21)/t13-/m1/s1
InChIKeyMGNJVSKBBNSQGQ-CYBMUJFWSA-N
XLogP1.13
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124849534
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
CID 104554785
(2S)-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-N-pyridin-2-ylpropanamide
CID 124755099
2-(4-morpholin-4-ylpiperidin-1-yl)-N-pyridin-2-ylpropanamide
CID 91830061
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
CID 111911114
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide?
The IUPAC name of (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide (CID 124753576) is (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide is C[C@H](C(=O)Nc1ccccn1)N(C)CC1(CO)CCOCC1.
What is the InChIKey of (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide?
The InChIKey is MGNJVSKBBNSQGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(15(21)18-14-5-3-4-8-17-14)19(2)11-16(12-20)6-9-22-10-7-16/h3-5,8,13,20H,6-7,9-12H2,1-2H3,(H,17,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide?
(2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 124753576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).