1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane

C26H39FN4O4 — CID 178082732

IUPAC1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane
SMILESCCC.CNCCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.COc1cccc(F)c1
InChIInChI=1S/C16H24N4O3.C7H7FO.C3H8/c1-11-4-5-14(23-11)16(22)20-12-6-9-18-13(10-12)15(21)19-8-3-7-17-2;1-9-7-4-2-3-6(8)5-7;1-3-2/h6,9-11,14,17H,3-5,7-8H2,1-2H3,(H,19,21)(H,18,20,22);2-5H,1H3;3H2,1-2H3
InChIKeyOQWYDVNZHILILP-UHFFFAOYSA-N
MW490.62 g/mol
LogP4.18
Rot. Bonds8

About 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane

1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane (PubChem CID 178082732) has the molecular formula C26H39FN4O4 and a molecular weight of 490.62 g/mol. Its IUPAC name is 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane.

Molecular Properties

Compound Name1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane
PubChem CID178082732
Molecular FormulaC26H39FN4O4
Molecular Weight490.62 g/mol
Exact Mass490.30
IUPAC Name1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane
SMILESCCC.CNCCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.COc1cccc(F)c1
InChIInChI=1S/C16H24N4O3.C7H7FO.C3H8/c1-11-4-5-14(23-11)16(22)20-12-6-9-18-13(10-12)15(21)19-8-3-7-17-2;1-9-7-4-2-3-6(8)5-7;1-3-2/h6,9-11,14,17H,3-5,7-8H2,1-2H3,(H,19,21)(H,18,20,22);2-5H,1H3;3H2,1-2H3
InChIKeyOQWYDVNZHILILP-UHFFFAOYSA-N
XLogP4.18
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358074
1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358071
N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159304
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357775
ethane;1-fluoro-3-methylbenzene;N-[3-(methylamino)propyl]formamide;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide
CID 178082948
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane?
The IUPAC name of 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane (CID 178082732) is 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane.
What is the SMILES notation for 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane?
The canonical SMILES for 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane is CCC.CNCCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.COc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane?
The InChIKey is OQWYDVNZHILILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.C7H7FO.C3H8/c1-11-4-5-14(23-11)16(22)20-12-6-9-18-13(10-12)15(21)19-8-3-7-17-2;1-9-7-4-2-3-6(8)5-7;1-3-2/h6,9-11,14,17H,3-5,7-8H2,1-2H3,(H,19,21)(H,18,20,22);2-5H,1H3;3H2,1-2H3.
What are the key properties of 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane?
1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane has a molecular weight of 490.62 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane is sourced from PubChem (CID 178082732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).