N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

C23H30N4O2 — CID 55743332

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cccnc3N3CCOCC3)cc2)C1
InChIInChI=1S/C23H30N4O2/c1-18-4-3-11-26(16-18)17-19-6-8-20(9-7-19)25-23(28)21-5-2-10-24-22(21)27-12-14-29-15-13-27/h2,5-10,18H,3-4,11-17H2,1H3,(H,25,28)
InChIKeyQCSGOOGCJSCJJS-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.40
Rot. Bonds5

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 55743332) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID55743332
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cccnc3N3CCOCC3)cc2)C1
InChIInChI=1S/C23H30N4O2/c1-18-4-3-11-26(16-18)17-19-6-8-20(9-7-19)25-23(28)21-5-2-10-24-22(21)27-12-14-29-15-13-27/h2,5-10,18H,3-4,11-17H2,1H3,(H,25,28)
InChIKeyQCSGOOGCJSCJJS-UHFFFAOYSA-N
XLogP3.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55858175
methane;4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]pyridine-2-carboxamide;4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 161409547
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55906780
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 94170870
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55840415
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
4-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938867
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 35344149
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 55743332) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide is CC1CCCN(Cc2ccc(NC(=O)c3cccnc3N3CCOCC3)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is QCSGOOGCJSCJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-4-3-11-26(16-18)17-19-6-8-20(9-7-19)25-23(28)21-5-2-10-24-22(21)27-12-14-29-15-13-27/h2,5-10,18H,3-4,11-17H2,1H3,(H,25,28).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 55743332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).