N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide

C24H31N5O2 — CID 121417873

IUPACN-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)NCCN(C)C)=C(C)/C2=C/c1cnc(N(C)C)nc1
InChIInChI=1S/C24H31N5O2/c1-16-20(11-17-14-26-24(27-15-17)29(4)5)19-8-7-18(31-6)12-22(19)21(16)13-23(30)25-9-10-28(2)3/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,25,30)/b20-11-
InChIKeyFQSXMGMLGSSKQX-JAIQZWGSSA-N
MW421.55 g/mol
LogP2.95
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide (PubChem CID 121417873) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide
PubChem CID121417873
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)NCCN(C)C)=C(C)/C2=C/c1cnc(N(C)C)nc1
InChIInChI=1S/C24H31N5O2/c1-16-20(11-17-14-26-24(27-15-17)29(4)5)19-8-7-18(31-6)12-22(19)21(16)13-23(30)25-9-10-28(2)3/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,25,30)/b20-11-
InChIKeyFQSXMGMLGSSKQX-JAIQZWGSSA-N
XLogP2.95
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121417937
N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-2-methyl-3-(naphthalen-2-ylmethylidene)inden-1-yl]acetamide
CID 70686980
N-[2-(dimethylamino)ethyl]-2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetamide
CID 67443520
2-[3-[[4-(dimethylamino)phenyl]methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146446794
2-[(3Z)-3-[[4-(carbamoylamino)-3,5-dimethoxyphenyl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
CID 154599729
2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 154599731
2-[(3Z)-6-fluoro-3-[[4-(4-fluorophenoxy)phenyl]methylidene]-2-methylinden-1-yl]-N-(2-hydroxyethyl)acetamide
CID 166887857
2-[2,6-dimethoxy-4-[(Z)-[5-methoxy-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]anilino]acetic acid
CID 151627073
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
2-[6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
CID 54018478
2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetyl chloride
CID 19356678
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide (CID 121417873) is N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide is COc1ccc2c(c1)C(CC(=O)NCCN(C)C)=C(C)/C2=C/c1cnc(N(C)C)nc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide?
The InChIKey is FQSXMGMLGSSKQX-JAIQZWGSSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-16-20(11-17-14-26-24(27-15-17)29(4)5)19-8-7-18(31-6)12-22(19)21(16)13-23(30)25-9-10-28(2)3/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,25,30)/b20-11-.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide has a molecular weight of 421.55 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]acetamide is sourced from PubChem (CID 121417873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).