N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

C17H21N5O2 — CID 95197355

IUPACN-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCN1CCO[C@@H](CCNC(=O)c2cnc(-c3ccccn3)nc2)C1
InChIInChI=1S/C17H21N5O2/c1-22-8-9-24-14(12-22)5-7-19-17(23)13-10-20-16(21-11-13)15-4-2-3-6-18-15/h2-4,6,10-11,14H,5,7-9,12H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyJXCUVRKPBWRCNL-AWEZNQCLSA-N
MW327.39 g/mol
LogP0.99
Rot. Bonds5

About N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 95197355) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID95197355
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCN1CCO[C@@H](CCNC(=O)c2cnc(-c3ccccn3)nc2)C1
InChIInChI=1S/C17H21N5O2/c1-22-8-9-24-14(12-22)5-7-19-17(23)13-10-20-16(21-11-13)15-4-2-3-6-18-15/h2-4,6,10-11,14H,5,7-9,12H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyJXCUVRKPBWRCNL-AWEZNQCLSA-N
XLogP0.99
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110741493
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
2-(2-methoxyphenoxy)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 110709914
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
N-[2-(4-methylmorpholin-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56701471
1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
CID 56717402
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 119067967
1-(4-methylmorpholin-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 167846857
5-methyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-propylpyrazole-4-carboxamide
CID 95188653

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 95197355) is N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is CN1CCO[C@@H](CCNC(=O)c2cnc(-c3ccccn3)nc2)C1.
What is the InChIKey of N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is JXCUVRKPBWRCNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-22-8-9-24-14(12-22)5-7-19-17(23)13-10-20-16(21-11-13)15-4-2-3-6-18-15/h2-4,6,10-11,14H,5,7-9,12H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 95197355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).