N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide

C22H28N4O2 — CID 109206689

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc(N4CCOCC4)ccn3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-17-7-10-25(11-8-17)19-4-2-18(3-5-19)24-22(27)21-16-20(6-9-23-21)26-12-14-28-15-13-26/h2-6,9,16-17H,7-8,10-15H2,1H3,(H,24,27)
InChIKeyYSGKSZKHMMCZAG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 109206689) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID109206689
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc(N4CCOCC4)ccn3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-17-7-10-25(11-8-17)19-4-2-18(3-5-19)24-22(27)21-16-20(6-9-23-21)26-12-14-28-15-13-26/h2-6,9,16-17H,7-8,10-15H2,1H3,(H,24,27)
InChIKeyYSGKSZKHMMCZAG-UHFFFAOYSA-N
XLogP3.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 146079163
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 136534503

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 109206689) is N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3cc(N4CCOCC4)ccn3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is YSGKSZKHMMCZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-7-10-25(11-8-17)19-4-2-18(3-5-19)24-22(27)21-16-20(6-9-23-21)26-12-14-28-15-13-26/h2-6,9,16-17H,7-8,10-15H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 109206689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).