N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide

C19H23N5O3 — CID 95891518

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide
SMILESCc1cnc(CNC(=O)C[C@H]2COCCN2C(=O)Cc2ccncc2)cn1
InChIInChI=1S/C19H23N5O3/c1-14-10-22-16(11-21-14)12-23-18(25)9-17-13-27-7-6-24(17)19(26)8-15-2-4-20-5-3-15/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyMYDWYLOLCVHMED-KRWDZBQOSA-N
MW369.43 g/mol
LogP0.66
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide

N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide (PubChem CID 95891518) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide
PubChem CID95891518
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide
SMILESCc1cnc(CNC(=O)C[C@H]2COCCN2C(=O)Cc2ccncc2)cn1
InChIInChI=1S/C19H23N5O3/c1-14-10-22-16(11-21-14)12-23-18(25)9-17-13-27-7-6-24(17)19(26)8-15-2-4-20-5-3-15/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyMYDWYLOLCVHMED-KRWDZBQOSA-N
XLogP0.66
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide (CID 95891518) is N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide is Cc1cnc(CNC(=O)C[C@H]2COCCN2C(=O)Cc2ccncc2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide?
The InChIKey is MYDWYLOLCVHMED-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14-10-22-16(11-21-14)12-23-18(25)9-17-13-27-7-6-24(17)19(26)8-15-2-4-20-5-3-15/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide is sourced from PubChem (CID 95891518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).