N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide

C23H28N4O4 — CID 20867016

IUPACN-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)N4CCOCC4)CC3)c2)c1
InChIInChI=1S/C23H28N4O4/c1-30-20-4-2-3-19(16-20)25-22(28)18-5-8-24-21(15-18)26-9-6-17(7-10-26)23(29)27-11-13-31-14-12-27/h2-5,8,15-17H,6-7,9-14H2,1H3,(H,25,28)
InChIKeyOHARADGRLIMHAL-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.42
Rot. Bonds5

About N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide

N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 20867016) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID20867016
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)N4CCOCC4)CC3)c2)c1
InChIInChI=1S/C23H28N4O4/c1-30-20-4-2-3-19(16-20)25-22(28)18-5-8-24-21(15-18)26-9-6-17(7-10-26)23(29)27-11-13-31-14-12-27/h2-5,8,15-17H,6-7,9-14H2,1H3,(H,25,28)
InChIKeyOHARADGRLIMHAL-UHFFFAOYSA-N
XLogP2.42
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide (CID 20867016) is N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)N4CCOCC4)CC3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is OHARADGRLIMHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-30-20-4-2-3-19(16-20)25-22(28)18-5-8-24-21(15-18)26-9-6-17(7-10-26)23(29)27-11-13-31-14-12-27/h2-5,8,15-17H,6-7,9-14H2,1H3,(H,25,28).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide?
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 20867016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).