N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide

C21H25N3O3 — CID 110614432

IUPACN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)CCCc3cccnc3)cc2)CCO1
InChIInChI=1S/C21H25N3O3/c1-16-15-24(12-13-27-16)21(26)18-7-9-19(10-8-18)23-20(25)6-2-4-17-5-3-11-22-14-17/h3,5,7-11,14,16H,2,4,6,12-13,15H2,1H3,(H,23,25)
InChIKeyBNMXGXZEZJYCCO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.90
Rot. Bonds6

About N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide (PubChem CID 110614432) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
PubChem CID110614432
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)CCCc3cccnc3)cc2)CCO1
InChIInChI=1S/C21H25N3O3/c1-16-15-24(12-13-27-16)21(26)18-7-9-19(10-8-18)23-20(25)6-2-4-17-5-3-11-22-14-17/h3,5,7-11,14,16H,2,4,6,12-13,15H2,1H3,(H,23,25)
InChIKeyBNMXGXZEZJYCCO-UHFFFAOYSA-N
XLogP2.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
CID 110671816
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
CID 110352712
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
CID 124753837
3-cyclopropyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110426734
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 110631390
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
3-(4-fluorophenyl)-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110620048

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide (CID 110614432) is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide is CC1CN(C(=O)c2ccc(NC(=O)CCCc3cccnc3)cc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide?
The InChIKey is BNMXGXZEZJYCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-15-24(12-13-27-16)21(26)18-7-9-19(10-8-18)23-20(25)6-2-4-17-5-3-11-22-14-17/h3,5,7-11,14,16H,2,4,6,12-13,15H2,1H3,(H,23,25).
What are the key properties of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide?
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide has a molecular weight of 367.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110614432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).