3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C26H35N5O — CID 146604529

IUPAC3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2cc(NC(C)C)nc(-c3ccc(CN(C)C)cc3)c2)c(=O)[nH]1
InChIInChI=1S/C26H35N5O/c1-17(2)28-25-13-21(14-27-15-23-18(3)11-19(4)29-26(23)32)12-24(30-25)22-9-7-20(8-10-22)16-31(5)6/h7-13,17,27H,14-16H2,1-6H3,(H,28,30)(H,29,32)
InChIKeyOCUZGECLXSQDKP-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.23
Rot. Bonds9

About 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 146604529) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID146604529
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2cc(NC(C)C)nc(-c3ccc(CN(C)C)cc3)c2)c(=O)[nH]1
InChIInChI=1S/C26H35N5O/c1-17(2)28-25-13-21(14-27-15-23-18(3)11-19(4)29-26(23)32)12-24(30-25)22-9-7-20(8-10-22)16-31(5)6/h7-13,17,27H,14-16H2,1-6H3,(H,28,30)(H,29,32)
InChIKeyOCUZGECLXSQDKP-UHFFFAOYSA-N
XLogP4.23
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 146604529) is 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CNCc2cc(NC(C)C)nc(-c3ccc(CN(C)C)cc3)c2)c(=O)[nH]1.
What is the InChIKey of 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is OCUZGECLXSQDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-17(2)28-25-13-21(14-27-15-23-18(3)11-19(4)29-26(23)32)12-24(30-25)22-9-7-20(8-10-22)16-31(5)6/h7-13,17,27H,14-16H2,1-6H3,(H,28,30)(H,29,32).
What are the key properties of 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 433.60 g/mol, XLogP of 4.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[4-[(dimethylamino)methyl]phenyl]-6-(propan-2-ylamino)-4-pyridinyl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 146604529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).