N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

C19H27N3O2 — CID 98750935

IUPACN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H27N3O2/c1-13(17-11-14-2-3-15(17)10-14)21-19(23)16-4-5-18(20-12-16)22-6-8-24-9-7-22/h4-5,12-15,17H,2-3,6-11H2,1H3,(H,21,23)/t13-,14+,15+,17+/m1/s1
InChIKeyZRJSHRXGBZPVOY-AESZEHBQSA-N
MW329.44 g/mol
LogP2.47
Rot. Bonds4

About N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 98750935) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID98750935
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H27N3O2/c1-13(17-11-14-2-3-15(17)10-14)21-19(23)16-4-5-18(20-12-16)22-6-8-24-9-7-22/h4-5,12-15,17H,2-3,6-11H2,1H3,(H,21,23)/t13-,14+,15+,17+/m1/s1
InChIKeyZRJSHRXGBZPVOY-AESZEHBQSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98786152
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 46515997
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509773
N-[(2R)-5-(diethylamino)pentan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 94813287
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 84578331
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 56814804
6-morpholin-4-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18143105

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 98750935) is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is ZRJSHRXGBZPVOY-AESZEHBQSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(17-11-14-2-3-15(17)10-14)21-19(23)16-4-5-18(20-12-16)22-6-8-24-9-7-22/h4-5,12-15,17H,2-3,6-11H2,1H3,(H,21,23)/t13-,14+,15+,17+/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 98750935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).