4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide

C28H35N5O2 — CID 174735332

IUPAC4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(N3CCCCC3)n2)c(=O)[nH]1
InChIInChI=1S/C28H35N5O2/c1-19-14-20(2)30-27(34)24(19)17-29-28(35)25-15-23(16-26(31-25)33-12-6-5-7-13-33)22-10-8-21(9-11-22)18-32(3)4/h8-11,14-16H,5-7,12-13,17-18H2,1-4H3,(H,29,35)(H,30,34)
InChIKeyPEDBKLLXSDOIRJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.04
Rot. Bonds7

About 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide

4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 174735332) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide
PubChem CID174735332
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(N3CCCCC3)n2)c(=O)[nH]1
InChIInChI=1S/C28H35N5O2/c1-19-14-20(2)30-27(34)24(19)17-29-28(35)25-15-23(16-26(31-25)33-12-6-5-7-13-33)22-10-8-21(9-11-22)18-32(3)4/h8-11,14-16H,5-7,12-13,17-18H2,1-4H3,(H,29,35)(H,30,34)
InChIKeyPEDBKLLXSDOIRJ-UHFFFAOYSA-N
XLogP4.04
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide (CID 174735332) is 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(N3CCCCC3)n2)c(=O)[nH]1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is PEDBKLLXSDOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-19-14-20(2)30-27(34)24(19)17-29-28(35)25-15-23(16-26(31-25)33-12-6-5-7-13-33)22-10-8-21(9-11-22)18-32(3)4/h8-11,14-16H,5-7,12-13,17-18H2,1-4H3,(H,29,35)(H,30,34).
What are the key properties of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide?
4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 174735332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).