1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide

C22H31N3O6 — CID 134484200

IUPAC1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCCCCOC(COCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1N)OC
InChIInChI=1S/C22H31N3O6/c1-3-4-13-30-19(28-2)16-29-14-11-24-22(27)20-21(18(26)10-12-25(20)23)31-15-17-8-6-5-7-9-17/h5-10,12,19H,3-4,11,13-16,23H2,1-2H3,(H,24,27)
InChIKeyKRPPHPDNDQGQJR-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.68
Rot. Bonds14

About 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide

1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 134484200) has the molecular formula C22H31N3O6 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID134484200
Molecular FormulaC22H31N3O6
Molecular Weight433.51 g/mol
Exact Mass433.22
IUPAC Name1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCCCCOC(COCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1N)OC
InChIInChI=1S/C22H31N3O6/c1-3-4-13-30-19(28-2)16-29-14-11-24-22(27)20-21(18(26)10-12-25(20)23)31-15-17-8-6-5-7-9-17/h5-10,12,19H,3-4,11,13-16,23H2,1-2H3,(H,24,27)
InChIKeyKRPPHPDNDQGQJR-UHFFFAOYSA-N
XLogP1.68
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 134484200) is 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide is CCCCOC(COCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1N)OC.
What is the InChIKey of 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is KRPPHPDNDQGQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6/c1-3-4-13-30-19(28-2)16-29-14-11-24-22(27)20-21(18(26)10-12-25(20)23)31-15-17-8-6-5-7-9-17/h5-10,12,19H,3-4,11,13-16,23H2,1-2H3,(H,24,27).
What are the key properties of 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.68, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 134484200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).