N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide

C20H25N5O3 — CID 3557301

IUPACN-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(CC1CCCO1)C(=O)c1cnccn1)NCCc1ccccn1
InChIInChI=1S/C20H25N5O3/c26-19(24-9-6-16-4-1-2-8-22-16)7-12-25(15-17-5-3-13-28-17)20(27)18-14-21-10-11-23-18/h1-2,4,8,10-11,14,17H,3,5-7,9,12-13,15H2,(H,24,26)
InChIKeyPUCJMSOKXYIONP-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.24
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide

N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 3557301) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
PubChem CID3557301
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(CC1CCCO1)C(=O)c1cnccn1)NCCc1ccccn1
InChIInChI=1S/C20H25N5O3/c26-19(24-9-6-16-4-1-2-8-22-16)7-12-25(15-17-5-3-13-28-17)20(27)18-14-21-10-11-23-18/h1-2,4,8,10-11,14,17H,3,5-7,9,12-13,15H2,(H,24,26)
InChIKeyPUCJMSOKXYIONP-UHFFFAOYSA-N
XLogP1.24
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7218732
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7306735
5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 93143416
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-(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
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide (CID 3557301) is N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide is O=C(CCN(CC1CCCO1)C(=O)c1cnccn1)NCCc1ccccn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is PUCJMSOKXYIONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-19(24-9-6-16-4-1-2-8-22-16)7-12-25(15-17-5-3-13-28-17)20(27)18-14-21-10-11-23-18/h1-2,4,8,10-11,14,17H,3,5-7,9,12-13,15H2,(H,24,26).
What are the key properties of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3557301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).