N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C16H24N4O3 — CID 177358074

IUPACN-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCNCCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C16H24N4O3/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/h6,9-11,14,17H,3-5,7-8H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyJYOVGZDGTHJREM-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.93
Rot. Bonds7

About N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 177358074) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID177358074
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCNCCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1
InChIInChI=1S/C16H24N4O3/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/h6,9-11,14,17H,3-5,7-8H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyJYOVGZDGTHJREM-UHFFFAOYSA-N
XLogP0.93
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159304
1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane
CID 178082732
1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358071
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610
5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide
CID 166160891
5-methyl-N-[2-(6-methyl-1,6-diazaspiro[3.3]heptane-1-carbonyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166159393
ethane;1-fluoro-3-methylbenzene;N-[3-(methylamino)propyl]formamide;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide
CID 178082948
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525
3-(2-fluorophenoxy)-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082658
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 177358074) is N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CNCCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.
What is the InChIKey of N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is JYOVGZDGTHJREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/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/h6,9-11,14,17H,3-5,7-8H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 177358074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).