(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

C18H27N3O3 — CID 95273188

IUPAC(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C18H27N3O3/c1-14(24-13-15-7-2-5-12-23-15)18(22)20-16-8-6-9-19-17(16)21-10-3-4-11-21/h6,8-9,14-15H,2-5,7,10-13H2,1H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyPAUDFLDODMOYJC-GJZGRUSLSA-N
MW333.43 g/mol
LogP2.59
Rot. Bonds6

About (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 95273188) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID95273188
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C18H27N3O3/c1-14(24-13-15-7-2-5-12-23-15)18(22)20-16-8-6-9-19-17(16)21-10-3-4-11-21/h6,8-9,14-15H,2-5,7,10-13H2,1H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyPAUDFLDODMOYJC-GJZGRUSLSA-N
XLogP2.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide with MolForge

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Related Compounds

(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
CID 124615556
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94820641
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide
CID 95337144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 95273188) is (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is PAUDFLDODMOYJC-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(24-13-15-7-2-5-12-23-15)18(22)20-16-8-6-9-19-17(16)21-10-3-4-11-21/h6,8-9,14-15H,2-5,7,10-13H2,1H3,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 95273188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).