5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide

C17H18ClN3O2 — CID 95584099

IUPAC5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ncc(C(N)=O)cc2Cl)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-9-21(10-15(23-11)12-5-3-2-4-6-12)17-14(18)7-13(8-20-17)16(19)22/h2-8,11,15H,9-10H2,1H3,(H2,19,22)/t11-,15+/m0/s1
InChIKeyNNNZSRZSAZFYTJ-XHDPSFHLSA-N
MW331.80 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide

5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide (PubChem CID 95584099) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide
PubChem CID95584099
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ncc(C(N)=O)cc2Cl)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-9-21(10-15(23-11)12-5-3-2-4-6-12)17-14(18)7-13(8-20-17)16(19)22/h2-8,11,15H,9-10H2,1H3,(H2,19,22)/t11-,15+/m0/s1
InChIKeyNNNZSRZSAZFYTJ-XHDPSFHLSA-N
XLogP2.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide
CID 133274548
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 95138688
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5,6-dimethyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridazine-4-carbonitrile
CID 100841358
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133357797
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone
CID 112837409
5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid
CID 141193609
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide (CID 95584099) is 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide is C[C@H]1CN(c2ncc(C(N)=O)cc2Cl)C[C@H](c2ccccc2)O1.
What is the InChIKey of 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is NNNZSRZSAZFYTJ-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-9-21(10-15(23-11)12-5-3-2-4-6-12)17-14(18)7-13(8-20-17)16(19)22/h2-8,11,15H,9-10H2,1H3,(H2,19,22)/t11-,15+/m0/s1.
What are the key properties of 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide?
5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95584099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).