N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide

C21H37N5O3 — CID 93115204

IUPACN-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)CCN(CCOC)C(=O)c1cnc(C)cn1
InChIInChI=1S/C21H37N5O3/c1-6-25(7-2)11-8-9-17(3)24-20(27)10-12-26(13-14-29-5)21(28)19-16-22-18(4)15-23-19/h15-17H,6-14H2,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyOLDWQOLJOIMRLW-KRWDZBQOSA-N
MW407.56 g/mol
LogP1.89
Rot. Bonds14

About N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide

N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide (PubChem CID 93115204) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
PubChem CID93115204
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC NameN-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)CCN(CCOC)C(=O)c1cnc(C)cn1
InChIInChI=1S/C21H37N5O3/c1-6-25(7-2)11-8-9-17(3)24-20(27)10-12-26(13-14-29-5)21(28)19-16-22-18(4)15-23-19/h15-17H,6-14H2,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyOLDWQOLJOIMRLW-KRWDZBQOSA-N
XLogP1.89
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide (CID 93115204) is N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide is CCN(CC)CCC[C@H](C)NC(=O)CCN(CCOC)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is OLDWQOLJOIMRLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-6-25(7-2)11-8-9-17(3)24-20(27)10-12-26(13-14-29-5)21(28)19-16-22-18(4)15-23-19/h15-17H,6-14H2,1-5H3,(H,24,27)/t17-/m0/s1.
What are the key properties of N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 1.89, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 93115204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).