2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine

C24H28ClN5O2 — CID 162528198

IUPAC2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine
SMILESCNC1CCN(C)CC1.O=Cc1ccnc(-c2ccc3cccc(NC(=O)CCl)c3c2)n1
InChIInChI=1S/C17H12ClN3O2.C7H16N2/c18-9-16(23)21-15-3-1-2-11-4-5-12(8-14(11)15)17-19-7-6-13(10-22)20-17;1-8-7-3-5-9(2)6-4-7/h1-8,10H,9H2,(H,21,23);7-8H,3-6H2,1-2H3
InChIKeyRFUQNRGNSNIZSA-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine

2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine (PubChem CID 162528198) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine
PubChem CID162528198
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine
SMILESCNC1CCN(C)CC1.O=Cc1ccnc(-c2ccc3cccc(NC(=O)CCl)c3c2)n1
InChIInChI=1S/C17H12ClN3O2.C7H16N2/c18-9-16(23)21-15-3-1-2-11-4-5-12(8-14(11)15)17-19-7-6-13(10-22)20-17;1-8-7-3-5-9(2)6-4-7/h1-8,10H,9H2,(H,21,23);7-8H,3-6H2,1-2H3
InChIKeyRFUQNRGNSNIZSA-UHFFFAOYSA-N
XLogP3.59
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethylpiperidin-4-amine;N-[7-(6-formyl-2-pyridinyl)naphthalen-1-yl]prop-2-enamide;2-(methylamino)acetaldehyde
CID 162527654
N,1-dimethylpiperidin-4-amine;2-[[[7-(4-formylpyrimidin-2-yl)-2-(methoxymethyl)naphthalen-1-yl]amino]methyl]prop-2-enenitrile
CID 162527877
N-[6-(4-formylpyrimidin-2-yl)quinolin-4-yl]prop-2-enamide;1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
CID 162526702
N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide
CID 162526901
2-[[[7-(4-formylpyrimidin-2-yl)-2-(2-methoxyethoxy)naphthalen-1-yl]amino]methyl]prop-2-enenitrile;1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
CID 162527168
N-[2-ethoxy-7-(6-formyl-2-pyridinyl)naphthalen-1-yl]prop-2-enamide;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 162526930
2-[8-(2-cyanoprop-2-enylamino)-7-propan-2-yloxynaphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 162528122
6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 162527086
3-formyl-N-(1-methylpiperidin-4-yl)benzamide
CID 90104631
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 171446132
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine?
The IUPAC name of 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine (CID 162528198) is 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine?
The canonical SMILES for 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine is CNC1CCN(C)CC1.O=Cc1ccnc(-c2ccc3cccc(NC(=O)CCl)c3c2)n1.
What is the InChIKey of 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine?
The InChIKey is RFUQNRGNSNIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2.C7H16N2/c18-9-16(23)21-15-3-1-2-11-4-5-12(8-14(11)15)17-19-7-6-13(10-22)20-17;1-8-7-3-5-9(2)6-4-7/h1-8,10H,9H2,(H,21,23);7-8H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine?
2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine has a molecular weight of 453.97 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 162528198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).