N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

C22H28N4O2 — CID 109228869

IUPACN-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N4O2/c27-22(24-16-21-5-4-12-28-21)17-13-19(15-23-14-17)25-18-6-8-20(9-7-18)26-10-2-1-3-11-26/h6-9,13-15,21,25H,1-5,10-12,16H2,(H,24,27)
InChIKeyDCJXVSJRNDZEBY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.72
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109228869) 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-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109228869
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N4O2/c27-22(24-16-21-5-4-12-28-21)17-13-19(15-23-14-17)25-18-6-8-20(9-7-18)26-10-2-1-3-11-26/h6-9,13-15,21,25H,1-5,10-12,16H2,(H,24,27)
InChIKeyDCJXVSJRNDZEBY-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

N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229049
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 108994393
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (CID 109228869) is N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is DCJXVSJRNDZEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(24-16-21-5-4-12-28-21)17-13-19(15-23-14-17)25-18-6-8-20(9-7-18)26-10-2-1-3-11-26/h6-9,13-15,21,25H,1-5,10-12,16H2,(H,24,27).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 109228869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).