2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

C22H28N4O2 — CID 25486327

IUPAC2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C22H28N4O2/c27-22(20-4-3-9-23-21(20)26-12-14-28-15-13-26)24-16-18-5-7-19(8-6-18)17-25-10-1-2-11-25/h3-9H,1-2,10-17H2,(H,24,27)
InChIKeyNWSRWDHXXHYFDB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.44
Rot. Bonds6

About 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 25486327) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID25486327
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C22H28N4O2/c27-22(20-4-3-9-23-21(20)26-12-14-28-15-13-26)24-16-18-5-7-19(8-6-18)17-25-10-1-2-11-25/h3-9H,1-2,10-17H2,(H,24,27)
InChIKeyNWSRWDHXXHYFDB-UHFFFAOYSA-N
XLogP2.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30357957
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743332
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991
N-[[3-(difluoromethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 49336379
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 47041480
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 25486327) is 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(CN2CCCC2)cc1)c1cccnc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NWSRWDHXXHYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(20-4-3-9-23-21(20)26-12-14-28-15-13-26)24-16-18-5-7-19(8-6-18)17-25-10-1-2-11-25/h3-9H,1-2,10-17H2,(H,24,27).
What are the key properties of 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 25486327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).