2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C28H33N5O3 — CID 148922286

IUPAC2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C28H33N5O3/c1-18-24(9-10-25(31-18)32-27(35)33-26(34)28(2,3)4)36-22-13-16-30-23(17-22)21-7-5-19(6-8-21)20-11-14-29-15-12-20/h5-10,13,16-17,20,29H,11-12,14-15H2,1-4H3,(H2,31,32,33,34,35)
InChIKeyPKHPCLXNKFEKTC-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.41
Rot. Bonds5

About 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 148922286) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID148922286
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C28H33N5O3/c1-18-24(9-10-25(31-18)32-27(35)33-26(34)28(2,3)4)36-22-13-16-30-23(17-22)21-7-5-19(6-8-21)20-11-14-29-15-12-20/h5-10,13,16-17,20,29H,11-12,14-15H2,1-4H3,(H2,31,32,33,34,35)
InChIKeyPKHPCLXNKFEKTC-UHFFFAOYSA-N
XLogP5.41
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 148922286) is 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is Cc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is PKHPCLXNKFEKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-18-24(9-10-25(31-18)32-27(35)33-26(34)28(2,3)4)36-22-13-16-30-23(17-22)21-7-5-19(6-8-21)20-11-14-29-15-12-20/h5-10,13,16-17,20,29H,11-12,14-15H2,1-4H3,(H2,31,32,33,34,35).
What are the key properties of 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 487.60 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[6-methyl-5-[[2-(4-piperidin-4-ylphenyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 148922286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).