N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C21H26N4O4 — CID 92636875

IUPACN-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C2CCN(C(=O)c3ccc(OC)nc3)CC2)nc1
InChIInChI=1S/C21H26N4O4/c1-28-12-9-22-20(26)16-3-5-18(23-13-16)15-7-10-25(11-8-15)21(27)17-4-6-19(29-2)24-14-17/h3-6,13-15H,7-12H2,1-2H3,(H,22,26)
InChIKeyKZUOTTNQWZODQN-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.88
Rot. Bonds7

About N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 92636875) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID92636875
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C2CCN(C(=O)c3ccc(OC)nc3)CC2)nc1
InChIInChI=1S/C21H26N4O4/c1-28-12-9-22-20(26)16-3-5-18(23-13-16)15-7-10-25(11-8-15)21(27)17-4-6-19(29-2)24-14-17/h3-6,13-15H,7-12H2,1-2H3,(H,22,26)
InChIKeyKZUOTTNQWZODQN-UHFFFAOYSA-N
XLogP1.88
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
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-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 53192439
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(6-methoxy-3-pyridinyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154737928
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621
2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241900
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 92636875) is N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is COCCNC(=O)c1ccc(C2CCN(C(=O)c3ccc(OC)nc3)CC2)nc1.
What is the InChIKey of N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KZUOTTNQWZODQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-12-9-22-20(26)16-3-5-18(23-13-16)15-7-10-25(11-8-15)21(27)17-4-6-19(29-2)24-14-17/h3-6,13-15H,7-12H2,1-2H3,(H,22,26).
What are the key properties of N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92636875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).