N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

C19H30N4O2 — CID 94170870

IUPACN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccnc2N2CCOCC2)C1
InChIInChI=1S/C19H30N4O2/c1-15-12-16(2)14-22(13-15)7-6-21-19(24)17-4-3-5-20-18(17)23-8-10-25-11-9-23/h3-5,15-16H,6-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyPEGKRNBJBHAZGG-HZPDHXFCSA-N
MW346.48 g/mol
LogP1.63
Rot. Bonds5

About N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 94170870) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID94170870
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccnc2N2CCOCC2)C1
InChIInChI=1S/C19H30N4O2/c1-15-12-16(2)14-22(13-15)7-6-21-19(24)17-4-3-5-20-18(17)23-8-10-25-11-9-23/h3-5,15-16H,6-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyPEGKRNBJBHAZGG-HZPDHXFCSA-N
XLogP1.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119496984
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 26126330
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743332
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51499028
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
2-morpholin-4-yl-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 95476963

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 94170870) is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccnc2N2CCOCC2)C1.
What is the InChIKey of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is PEGKRNBJBHAZGG-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-12-16(2)14-22(13-15)7-6-21-19(24)17-4-3-5-20-18(17)23-8-10-25-11-9-23/h3-5,15-16H,6-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 94170870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).