N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide

C23H27N5O4 — CID 46492519

IUPACN-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1)c1ccccn1
InChIInChI=1S/C23H27N5O4/c29-21(17-26-13-15-32-16-14-26)27-9-11-28(12-10-27)23(31)18-4-6-19(7-5-18)25-22(30)20-3-1-2-8-24-20/h1-8H,9-17H2,(H,25,30)
InChIKeyDAUFHJRWKXIGHT-UHFFFAOYSA-N
MW437.50 g/mol
LogP0.95
Rot. Bonds5

About N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide

N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide (PubChem CID 46492519) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
PubChem CID46492519
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1)c1ccccn1
InChIInChI=1S/C23H27N5O4/c29-21(17-26-13-15-32-16-14-26)27-9-11-28(12-10-27)23(31)18-4-6-19(7-5-18)25-22(30)20-3-1-2-8-24-20/h1-8H,9-17H2,(H,25,30)
InChIKeyDAUFHJRWKXIGHT-UHFFFAOYSA-N
XLogP0.95
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 43038549
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 56796102
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 9469996
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 138998600
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide (CID 46492519) is N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1)c1ccccn1.
What is the InChIKey of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The InChIKey is DAUFHJRWKXIGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c29-21(17-26-13-15-32-16-14-26)27-9-11-28(12-10-27)23(31)18-4-6-19(7-5-18)25-22(30)20-3-1-2-8-24-20/h1-8H,9-17H2,(H,25,30).
What are the key properties of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46492519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).