5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide

C23H28N4O2 — CID 142751133

IUPAC5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2ccc([C@@]34C[C@@H]3CN(CCN3CCOCC3)C4)cc2)c1
InChIInChI=1S/C23H28N4O2/c24-22(28)19-11-18(13-25-14-19)17-1-3-20(4-2-17)23-12-21(23)15-27(16-23)6-5-26-7-9-29-10-8-26/h1-4,11,13-14,21H,5-10,12,15-16H2,(H2,24,28)/t21-,23+/m1/s1
InChIKeyFGGMYVADXURWHF-GGAORHGYSA-N
MW392.50 g/mol
LogP1.75
Rot. Bonds6

About 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide

5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 142751133) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID142751133
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2ccc([C@@]34C[C@@H]3CN(CCN3CCOCC3)C4)cc2)c1
InChIInChI=1S/C23H28N4O2/c24-22(28)19-11-18(13-25-14-19)17-1-3-20(4-2-17)23-12-21(23)15-27(16-23)6-5-26-7-9-29-10-8-26/h1-4,11,13-14,21H,5-10,12,15-16H2,(H2,24,28)/t21-,23+/m1/s1
InChIKeyFGGMYVADXURWHF-GGAORHGYSA-N
XLogP1.75
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 142751138
5-[4-[(1S,5R)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 142751131
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1S,5R)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134203046
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628954
(E,2E)-2-[amino-(methylideneamino)methylidene]-N-(4-hydroxycyclohexyl)-4-[4-[(1S,5R)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pent-3-enamide
CID 155136661
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 138628942
2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide (CID 142751133) is 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide is NC(=O)c1cncc(-c2ccc([C@@]34C[C@@H]3CN(CCN3CCOCC3)C4)cc2)c1.
What is the InChIKey of 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is FGGMYVADXURWHF-GGAORHGYSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-22(28)19-11-18(13-25-14-19)17-1-3-20(4-2-17)23-12-21(23)15-27(16-23)6-5-26-7-9-29-10-8-26/h1-4,11,13-14,21H,5-10,12,15-16H2,(H2,24,28)/t21-,23+/m1/s1.
What are the key properties of 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 142751133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).