(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide

C17H17N3O3 — CID 94512813

IUPAC(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1
InChIInChI=1S/C17H17N3O3/c18-16(21)13-8-9-20(11-13)17(22)12-6-7-15(19-10-12)23-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11H2,(H2,18,21)/t13-/m0/s1
InChIKeyANUBRZNTWIAHIC-ZDUSSCGKSA-N
MW311.34 g/mol
LogP1.82
Rot. Bonds4

About (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide

(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 94512813) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID94512813
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1
InChIInChI=1S/C17H17N3O3/c18-16(21)13-8-9-20(11-13)17(22)12-6-7-15(19-10-12)23-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11H2,(H2,18,21)/t13-/m0/s1
InChIKeyANUBRZNTWIAHIC-ZDUSSCGKSA-N
XLogP1.82
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(6-phenoxypyridine-3-carbonyl)piperidine-4-carboxamide
CID 87016013
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
(3S)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610315
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[6-(4-bromophenoxy)-3-pyridinyl]methanone
CID 124611130
(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide
CID 94512704
N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46458174
[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670
2-[4-(6-phenoxypyridine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520635
[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119559842

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide (CID 94512813) is (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1.
What is the InChIKey of (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is ANUBRZNTWIAHIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-16(21)13-8-9-20(11-13)17(22)12-6-7-15(19-10-12)23-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11H2,(H2,18,21)/t13-/m0/s1.
What are the key properties of (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide?
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94512813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).