N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

C19H29N5O4 — CID 42783431

IUPACN-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(CCN(CC1CCCO1)C(=O)c1cnccn1)NCCN1CCOCC1
InChIInChI=1S/C19H29N5O4/c25-18(22-6-8-23-9-12-27-13-10-23)3-7-24(15-16-2-1-11-28-16)19(26)17-14-20-4-5-21-17/h4-5,14,16H,1-3,6-13,15H2,(H,22,25)
InChIKeySTJVVZNGWGECTO-UHFFFAOYSA-N
MW391.47 g/mol
LogP-0.06
Rot. Bonds9

About N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 42783431) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID42783431
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(CCN(CC1CCCO1)C(=O)c1cnccn1)NCCN1CCOCC1
InChIInChI=1S/C19H29N5O4/c25-18(22-6-8-23-9-12-27-13-10-23)3-7-24(15-16-2-1-11-28-16)19(26)17-14-20-4-5-21-17/h4-5,14,16H,1-3,6-13,15H2,(H,22,25)
InChIKeySTJVVZNGWGECTO-UHFFFAOYSA-N
XLogP-0.06
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3557301
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783434
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7218732
N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 4253223
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237890
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237889

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (CID 42783431) is N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is O=C(CCN(CC1CCCO1)C(=O)c1cnccn1)NCCN1CCOCC1.
What is the InChIKey of N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is STJVVZNGWGECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c25-18(22-6-8-23-9-12-27-13-10-23)3-7-24(15-16-2-1-11-28-16)19(26)17-14-20-4-5-21-17/h4-5,14,16H,1-3,6-13,15H2,(H,22,25).
What are the key properties of N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of -0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42783431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).