N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide

C21H26N4O3 — CID 55784217

IUPACN-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)cn1
InChIInChI=1S/C21H26N4O3/c1-3-25(4-2)19-11-10-17(14-22-19)24-20(26)15-7-5-8-16(13-15)23-21(27)18-9-6-12-28-18/h5,7-8,10-11,13-14,18H,3-4,6,9,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyPCVPNTBPYQMIFQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.30
Rot. Bonds7

About N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55784217) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55784217
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)cn1
InChIInChI=1S/C21H26N4O3/c1-3-25(4-2)19-11-10-17(14-22-19)24-20(26)15-7-5-8-16(13-15)23-21(27)18-9-6-12-28-18/h5,7-8,10-11,13-14,18H,3-4,6,9,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyPCVPNTBPYQMIFQ-UHFFFAOYSA-N
XLogP3.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55655729
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634844
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 55784217) is N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)cn1.
What is the InChIKey of N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is PCVPNTBPYQMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-25(4-2)19-11-10-17(14-22-19)24-20(26)15-7-5-8-16(13-15)23-21(27)18-9-6-12-28-18/h5,7-8,10-11,13-14,18H,3-4,6,9,12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55784217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).