N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide

C20H29N7O3 — CID 70197656

IUPACN-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NCCN3CCOCC3)c2=O)c(N)nc1C
InChIInChI=1S/C20H29N7O3/c1-13-11-24-19(22-4-5-26-6-8-30-9-7-26)20(29)27(13)17-10-16(12-23-15(3)28)14(2)25-18(17)21/h10-11H,4-9,12H2,1-3H3,(H2,21,25)(H,22,24)(H,23,28)
InChIKeyQASYTJHSRWRGNZ-UHFFFAOYSA-N
MW415.50 g/mol
LogP0.21
Rot. Bonds7

About N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide

N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 70197656) has the molecular formula C20H29N7O3 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
PubChem CID70197656
Molecular FormulaC20H29N7O3
Molecular Weight415.50 g/mol
Exact Mass415.23
IUPAC NameN-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NCCN3CCOCC3)c2=O)c(N)nc1C
InChIInChI=1S/C20H29N7O3/c1-13-11-24-19(22-4-5-26-6-8-30-9-7-26)20(29)27(13)17-10-16(12-23-15(3)28)14(2)25-18(17)21/h10-11H,4-9,12H2,1-3H3,(H2,21,25)(H,22,24)(H,23,28)
InChIKeyQASYTJHSRWRGNZ-UHFFFAOYSA-N
XLogP0.21
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide (CID 70197656) is N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(-n2c(C)cnc(NCCN3CCOCC3)c2=O)c(N)nc1C.
What is the InChIKey of N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is QASYTJHSRWRGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O3/c1-13-11-24-19(22-4-5-26-6-8-30-9-7-26)20(29)27(13)17-10-16(12-23-15(3)28)14(2)25-18(17)21/h10-11H,4-9,12H2,1-3H3,(H2,21,25)(H,22,24)(H,23,28).
What are the key properties of N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 70197656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).