N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide

C22H28N4O2 — CID 109185060

IUPACN-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C22H28N4O2/c27-22(24-16-20-5-4-14-28-20)21-11-8-18(15-23-21)25-17-6-9-19(10-7-17)26-12-2-1-3-13-26/h6-11,15,20,25H,1-5,12-14,16H2,(H,24,27)
InChIKeyHZTJSPLEAVFBRY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.72
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide

N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109185060) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109185060
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C22H28N4O2/c27-22(24-16-20-5-4-14-28-20)21-11-8-18(15-23-21)25-17-6-9-19(10-7-17)26-12-2-1-3-13-26/h6-11,15,20,25H,1-5,12-14,16H2,(H,24,27)
InChIKeyHZTJSPLEAVFBRY-UHFFFAOYSA-N
XLogP3.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.72
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

5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
5-(2-morpholin-4-ylethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184925
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185048
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109184969

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide (CID 109185060) is N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccc(Nc2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is HZTJSPLEAVFBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(24-16-20-5-4-14-28-20)21-11-8-18(15-23-21)25-17-6-9-19(10-7-17)26-12-2-1-3-13-26/h6-11,15,20,25H,1-5,12-14,16H2,(H,24,27).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109185060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).