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

C20H27N5O2 — CID 42783152

IUPACN-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
SMILESCC(C)CCN(CCC(=O)NCCc1ccccn1)C(=O)c1cnccn1
InChIInChI=1S/C20H27N5O2/c1-16(2)7-13-25(20(27)18-15-21-11-12-23-18)14-8-19(26)24-10-6-17-5-3-4-9-22-17/h3-5,9,11-12,15-16H,6-8,10,13-14H2,1-2H3,(H,24,26)
InChIKeyCPLXHQMDKMIFKE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.11
Rot. Bonds10

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

N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 42783152) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
PubChem CID42783152
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
SMILESCC(C)CCN(CCC(=O)NCCc1ccccn1)C(=O)c1cnccn1
InChIInChI=1S/C20H27N5O2/c1-16(2)7-13-25(20(27)18-15-21-11-12-23-18)14-8-19(26)24-10-6-17-5-3-4-9-22-17/h3-5,9,11-12,15-16H,6-8,10,13-14H2,1-2H3,(H,24,26)
InChIKeyCPLXHQMDKMIFKE-UHFFFAOYSA-N
XLogP2.11
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 4192735
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 4305311
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3557301
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 4160923
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 51070099
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide (CID 42783152) is N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide is CC(C)CCN(CCC(=O)NCCc1ccccn1)C(=O)c1cnccn1.
What is the InChIKey of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is CPLXHQMDKMIFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16(2)7-13-25(20(27)18-15-21-11-12-23-18)14-8-19(26)24-10-6-17-5-3-4-9-22-17/h3-5,9,11-12,15-16H,6-8,10,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide?
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).