N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide

C30H30N4O2 — CID 72545566

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N5CCOCC5)nc4)c3)cc2)ccn1
InChIInChI=1S/C30H30N4O2/c1-21-18-26(12-13-31-21)23-6-9-28(10-7-23)33-30(35)22(2)24-4-3-5-25(19-24)27-8-11-29(32-20-27)34-14-16-36-17-15-34/h3-13,18-20,22H,14-17H2,1-2H3,(H,33,35)
InChIKeyWTKPFUCEKAPHDV-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.70
Rot. Bonds6

About N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide (PubChem CID 72545566) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide
PubChem CID72545566
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N5CCOCC5)nc4)c3)cc2)ccn1
InChIInChI=1S/C30H30N4O2/c1-21-18-26(12-13-31-21)23-6-9-28(10-7-23)33-30(35)22(2)24-4-3-5-25(19-24)27-8-11-29(32-20-27)34-14-16-36-17-15-34/h3-13,18-20,22H,14-17H2,1-2H3,(H,33,35)
InChIKeyWTKPFUCEKAPHDV-UHFFFAOYSA-N
XLogP5.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide (CID 72545566) is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N5CCOCC5)nc4)c3)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide?
The InChIKey is WTKPFUCEKAPHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-21-18-26(12-13-31-21)23-6-9-28(10-7-23)33-30(35)22(2)24-4-3-5-25(19-24)27-8-11-29(32-20-27)34-14-16-36-17-15-34/h3-13,18-20,22H,14-17H2,1-2H3,(H,33,35).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide?
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide has a molecular weight of 478.60 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 72545566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).