N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide

C24H26N2O4 — CID 167171278

IUPACN-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide
SMILESCCCN(OC)C(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1
InChIInChI=1S/C24H26N2O4/c1-3-14-26(28-2)24(27)21-15-22(29-17-19-10-6-4-7-11-19)23(16-25-21)30-18-20-12-8-5-9-13-20/h4-13,15-16H,3,14,17-18H2,1-2H3
InChIKeyOLIYPNXEZXNQKF-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.65
Rot. Bonds10

About N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide

N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide (PubChem CID 167171278) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide
PubChem CID167171278
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide
SMILESCCCN(OC)C(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1
InChIInChI=1S/C24H26N2O4/c1-3-14-26(28-2)24(27)21-15-22(29-17-19-10-6-4-7-11-19)23(16-25-21)30-18-20-12-8-5-9-13-20/h4-13,15-16H,3,14,17-18H2,1-2H3
InChIKeyOLIYPNXEZXNQKF-UHFFFAOYSA-N
XLogP4.65
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-3-(cyanomethyl)urea
CID 87395926
1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-3-(isocyanomethyl)urea
CID 59374360
1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]urea
CID 67427761
N'-[(2S)-2,3-dihydroxypropyl]-4,5-bis(phenylmethoxy)pyridine-2-carbohydrazide
CID 141272415
2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide
CID 70260112
methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate
CID 71076330
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
2-(2-phenylmethoxyphenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119825911
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
CID 129054347
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide?
The IUPAC name of N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide (CID 167171278) is N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide?
The canonical SMILES for N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide is CCCN(OC)C(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1.
What is the InChIKey of N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide?
The InChIKey is OLIYPNXEZXNQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-14-26(28-2)24(27)21-15-22(29-17-19-10-6-4-7-11-19)23(16-25-21)30-18-20-12-8-5-9-13-20/h4-13,15-16H,3,14,17-18H2,1-2H3.
What are the key properties of N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide?
N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 4.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4,5-bis(phenylmethoxy)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 167171278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).