3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one

C24H23N3O2 — CID 176729799

IUPAC3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
SMILESCN(C)c1ccc(C(Nc2c[nH]ccc2=O)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C24H23N3O2/c1-27(2)18-10-7-17(8-11-18)24(26-20-15-25-14-13-21(20)28)23-19-6-4-3-5-16(19)9-12-22(23)29/h3-15,24,26,29H,1-2H3,(H,25,28)
InChIKeyCDQRMUJQDAAWSJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.50
Rot. Bonds5

About 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one

3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one (PubChem CID 176729799) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
PubChem CID176729799
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
SMILESCN(C)c1ccc(C(Nc2c[nH]ccc2=O)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C24H23N3O2/c1-27(2)18-10-7-17(8-11-18)24(26-20-15-25-14-13-21(20)28)23-19-6-4-3-5-16(19)9-12-22(23)29/h3-15,24,26,29H,1-2H3,(H,25,28)
InChIKeyCDQRMUJQDAAWSJ-UHFFFAOYSA-N
XLogP4.50
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[[(4-fluorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729772
3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729700
3-[[(4-bromophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729804
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 42927482

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
The IUPAC name of 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one (CID 176729799) is 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one.
What is the SMILES notation for 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
The canonical SMILES for 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one is CN(C)c1ccc(C(Nc2c[nH]ccc2=O)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
The InChIKey is CDQRMUJQDAAWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-27(2)18-10-7-17(8-11-18)24(26-20-15-25-14-13-21(20)28)23-19-6-4-3-5-16(19)9-12-22(23)29/h3-15,24,26,29H,1-2H3,(H,25,28).
What are the key properties of 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one has a molecular weight of 385.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one is sourced from PubChem (CID 176729799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).