N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide

C21H20N4O2 — CID 10247954

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOC1
InChIInChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)
InChIKeyYZIQMIAREGGHFQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.86
Rot. Bonds5

About N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide (PubChem CID 10247954) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide
PubChem CID10247954
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOC1
InChIInChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)
InChIKeyYZIQMIAREGGHFQ-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408641
4-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)cyclohexanecarboxamide
CID 10092520
3-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)propanamide
CID 10472936
N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide
CID 11268375
N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
CID 11373403
N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide
CID 11774751
1-acetyl-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-4-carboxamide
CID 44408669
N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408670
1-acetyl-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408825
(3R)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408908
(3S)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408909
1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408936

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide (CID 10247954) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide is O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOC1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide?
The InChIKey is YZIQMIAREGGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 10247954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).