N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide

C26H30N4O2 — CID 4160923

IUPACN-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C26H30N4O2/c1-2-18-30(26(32)24-20-27-16-17-28-24)19-14-25(31)29-15-13-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,16-17,20,23H,2,13-15,18-19H2,1H3,(H,29,31)
InChIKeyKIIWVZHTEAGKKI-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.06
Rot. Bonds11

About N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide

N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide (PubChem CID 4160923) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
PubChem CID4160923
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C26H30N4O2/c1-2-18-30(26(32)24-20-27-16-17-28-24)19-14-25(31)29-15-13-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,16-17,20,23H,2,13-15,18-19H2,1H3,(H,29,31)
InChIKeyKIIWVZHTEAGKKI-UHFFFAOYSA-N
XLogP4.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diphenylpropyl)-3-[ethylcarbamoyl(propyl)amino]propanamide
CID 42700207
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330
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-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-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 4305311
N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide (CID 4160923) is N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide is CCCN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide?
The InChIKey is KIIWVZHTEAGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-2-18-30(26(32)24-20-27-16-17-28-24)19-14-25(31)29-15-13-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,16-17,20,23H,2,13-15,18-19H2,1H3,(H,29,31).
What are the key properties of N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide?
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 4160923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).