6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide

C27H29ClN4O2 — CID 162526997

IUPAC6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1ccc(Cl)c2ccc(-c3cccc(C(=O)NCCC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C27H29ClN4O2/c1-3-26(33)31-24-10-9-22(28)20-8-7-19(17-21(20)24)23-5-4-6-25(30-23)27(34)29-14-11-18-12-15-32(2)16-13-18/h3-10,17-18H,1,11-16H2,2H3,(H,29,34)(H,31,33)
InChIKeyUHADCJLRKBKWRE-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.14
Rot. Bonds7

About 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide

6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 162526997) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID162526997
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC Name6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1ccc(Cl)c2ccc(-c3cccc(C(=O)NCCC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C27H29ClN4O2/c1-3-26(33)31-24-10-9-22(28)20-8-7-19(17-21(20)24)23-5-4-6-25(30-23)27(34)29-14-11-18-12-15-32(2)16-13-18/h3-10,17-18H,1,11-16H2,2H3,(H,29,34)(H,31,33)
InChIKeyUHADCJLRKBKWRE-UHFFFAOYSA-N
XLogP5.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 162527086
N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
CID 162526952
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
CID 162527223
N,1-dimethylpiperidin-4-amine;N-[7-(6-formyl-2-pyridinyl)naphthalen-1-yl]prop-2-enamide;2-(methylamino)acetaldehyde
CID 162527654
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335
N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide
CID 162526901
methyl 2-[[6-[7-(methoxymethyl)-8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carbonyl]amino]acetate
CID 162526800
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 162526809
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
6-[7-methoxy-8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxylic acid
CID 162527363
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113479299

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide (CID 162526997) is 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide is C=CC(=O)Nc1ccc(Cl)c2ccc(-c3cccc(C(=O)NCCC4CCN(C)CC4)n3)cc12.
What is the InChIKey of 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is UHADCJLRKBKWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-3-26(33)31-24-10-9-22(28)20-8-7-19(17-21(20)24)23-5-4-6-25(30-23)27(34)29-14-11-18-12-15-32(2)16-13-18/h3-10,17-18H,1,11-16H2,2H3,(H,29,34)(H,31,33).
What are the key properties of 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 162526997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).