N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide

C22H30N4O2 — CID 7416160

IUPACN-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
SMILESCC(C)CN(CCC(=O)N[C@H](C)CCc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C22H30N4O2/c1-17(2)16-26(22(28)20-15-23-12-13-24-20)14-11-21(27)25-18(3)9-10-19-7-5-4-6-8-19/h4-8,12-13,15,17-18H,9-11,14,16H2,1-3H3,(H,25,27)/t18-/m1/s1
InChIKeyPUCRHXWBFDNMHN-GOSISDBHSA-N
MW382.51 g/mol
LogP3.10
Rot. Bonds10

About N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide

N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 7416160) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
PubChem CID7416160
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
SMILESCC(C)CN(CCC(=O)N[C@H](C)CCc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C22H30N4O2/c1-17(2)16-26(22(28)20-15-23-12-13-24-20)14-11-21(27)25-18(3)9-10-19-7-5-4-6-8-19/h4-8,12-13,15,17-18H,9-11,14,16H2,1-3H3,(H,25,27)/t18-/m1/s1
InChIKeyPUCRHXWBFDNMHN-GOSISDBHSA-N
XLogP3.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
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-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 4305311
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 55049875
N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide (CID 7416160) is N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide is CC(C)CN(CCC(=O)N[C@H](C)CCc1ccccc1)C(=O)c1cnccn1.
What is the InChIKey of N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is PUCRHXWBFDNMHN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(2)16-26(22(28)20-15-23-12-13-24-20)14-11-21(27)25-18(3)9-10-19-7-5-4-6-8-19/h4-8,12-13,15,17-18H,9-11,14,16H2,1-3H3,(H,25,27)/t18-/m1/s1.
What are the key properties of N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide?
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7416160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).