N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide

C20H24N4O2 — CID 113035628

IUPACN-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cn1)C1CCCO1
InChIInChI=1S/C20H24N4O2/c25-20(18-4-3-13-26-18)23-19-10-7-16(14-21-19)22-15-5-8-17(9-6-15)24-11-1-2-12-24/h5-10,14,18,22H,1-4,11-13H2,(H,21,23,25)
InChIKeyWRBOTJNRYOTAFL-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.54
Rot. Bonds5

About N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide

N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113035628) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113035628
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cn1)C1CCCO1
InChIInChI=1S/C20H24N4O2/c25-20(18-4-3-13-26-18)23-19-10-7-16(14-21-19)22-15-5-8-17(9-6-15)24-11-1-2-12-24/h5-10,14,18,22H,1-4,11-13H2,(H,21,23,25)
InChIKeyWRBOTJNRYOTAFL-UHFFFAOYSA-N
XLogP3.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113026042
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113033729
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide (CID 113035628) is N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide is O=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cn1)C1CCCO1.
What is the InChIKey of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is WRBOTJNRYOTAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(18-4-3-13-26-18)23-19-10-7-16(14-21-19)22-15-5-8-17(9-6-15)24-11-1-2-12-24/h5-10,14,18,22H,1-4,11-13H2,(H,21,23,25).
What are the key properties of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide?
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113035628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).